USER MOD reduce.3.24.130724 H: found=0, std=0, add=1200, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1200 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 111 GLN : amide:sc= 0.587 K(o=1.8,f=-7.2!) USER MOD Set 1.2: A 114 LYS NZ :NH3+ 171:sc= 0.79 (180deg=0) USER MOD Set 1.3: A 115 TYR OH : rot -65:sc= 0.443 USER MOD Set 2.1: A 46 MET CE :methyl 169:sc= -5.34! (180deg=-5.54!) USER MOD Set 2.2: A 51 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 9 SER OG : rot -172:sc= 0.986 USER MOD Set 3.2: A 61 LYS NZ :NH3+ 165:sc= 2.44 (180deg=0.315) USER MOD Single : A 1 MET CE :methyl 164:sc= -0.0831 (180deg=-0.438) USER MOD Single : A 1 MET N :NH3+ -114:sc= 0.104 (180deg=-0.00346) USER MOD Single : A 3 HIS : no HD1:sc= -0.111 X(o=-0.11,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.0965 X(o=-0.096,f=0.0094) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.0046) USER MOD Single : A 7 HIS : no HD1:sc= -0.36 X(o=-0.36,f=-0.8) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HE2:sc= -0.0268 K(o=-0.027,f=-1.1) USER MOD Single : A 11 MET CE :methyl -157:sc= -0.216 (180deg=-1.19) USER MOD Single : A 14 HIS : no HD1:sc= -0.524 X(o=-0.52,f=-0.14) USER MOD Single : A 18 THR OG1 : rot 34:sc= 0.578 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.334 K(o=-0.33,f=-3.2!) USER MOD Single : A 24 LYS NZ :NH3+ -176:sc= -0.225 (180deg=-0.274) USER MOD Single : A 25 GLN : amide:sc= -0.876 K(o=-0.88,f=-0.23) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -172:sc= 1.01 (180deg=0.944) USER MOD Single : A 36 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0752) USER MOD Single : A 44 SER OG : rot 79:sc= 1.01 USER MOD Single : A 47 GLN : amide:sc= -2.06! C(o=-2.1!,f=-4!) USER MOD Single : A 48 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.046) USER MOD Single : A 54 ASN : amide:sc= -1.13 K(o=-1.1,f=-8.1!) USER MOD Single : A 59 MET CE :methyl 164:sc= -0.022 (180deg=-0.345) USER MOD Single : A 62 GLN : amide:sc= 0.154 K(o=0.15,f=-4.3!) USER MOD Single : A 68 MET CE :methyl -168:sc= -0.0214 (180deg=-0.236) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -76:sc= 1.02 USER MOD Single : A 76 LYS NZ :NH3+ -169:sc= -0.369 (180deg=-0.428) USER MOD Single : A 84 ASN : amide:sc= -0.901 K(o=-0.9,f=-1.4) USER MOD Single : A 85 LYS NZ :NH3+ -132:sc= 0.98 (180deg=-0.0639) USER MOD Single : A 86 LYS NZ :NH3+ 178:sc= 0.366 (180deg=0.301) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0317) USER MOD Single : A 96 ASN : amide:sc= -1.19 K(o=-1.2,f=-0.3) USER MOD Single : A 99 THR OG1 : rot -34:sc= 0.92 USER MOD Single : A 100 SER OG : rot -39:sc= 0.969 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 74:sc= 0.55 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.334 USER MOD Single : A 112 TYR OH : rot -16:sc= 0.941 USER MOD Single : A 113 MET CE :methyl -146:sc= -3.17! (180deg=-3.96!) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 CYS SG : rot -25:sc= 0.0353 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot -81:sc= 0.531 USER MOD Single : A 128 ASN : amide:sc= 0.117 X(o=0.12,f=-0.02) USER MOD Single : A 130 ASN : amide:sc= -2.34! K(o=-2.3!,f=-0.12) USER MOD Single : A 133 GLN : amide:sc= -0.0505 X(o=-0.05,f=-0.46) USER MOD Single : A 138 SER OG : rot 79:sc= 0.75 USER MOD Single : A 139 ASN : amide:sc= -1.45 K(o=-1.5,f=-2.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.204 -23.191 -21.610 1.00 44.43 N ATOM 2 CA MET A 1 20.051 -21.881 -22.306 1.00 44.11 C ATOM 3 C MET A 1 19.240 -20.891 -21.456 1.00 60.41 C ATOM 4 O MET A 1 18.678 -21.262 -20.426 1.00 31.22 O ATOM 5 CB MET A 1 19.373 -22.075 -23.674 1.00 11.33 C ATOM 6 CG MET A 1 17.937 -22.581 -23.595 1.00 3.31 C ATOM 7 SD MET A 1 17.154 -22.728 -25.219 1.00 5.21 S ATOM 8 CE MET A 1 18.169 -23.999 -25.976 1.00 45.22 C ATOM 0 H1 MET A 1 21.205 -23.344 -21.375 1.00 44.43 H new ATOM 0 H2 MET A 1 19.640 -23.188 -20.736 1.00 44.43 H new ATOM 0 H3 MET A 1 19.874 -23.956 -22.233 1.00 44.43 H new ATOM 0 HA MET A 1 21.048 -21.466 -22.457 1.00 44.11 H new ATOM 0 HB2 MET A 1 19.383 -21.126 -24.209 1.00 11.33 H new ATOM 0 HB3 MET A 1 19.962 -22.779 -24.262 1.00 11.33 H new ATOM 0 HG2 MET A 1 17.926 -23.553 -23.102 1.00 3.31 H new ATOM 0 HG3 MET A 1 17.351 -21.903 -22.975 1.00 3.31 H new ATOM 0 HE1 MET A 1 17.657 -24.401 -26.850 1.00 45.22 H new ATOM 0 HE2 MET A 1 19.123 -23.569 -26.281 1.00 45.22 H new ATOM 0 HE3 MET A 1 18.345 -24.800 -25.258 1.00 45.22 H new ATOM 20 N GLY A 2 19.179 -19.635 -21.894 1.00 24.53 N ATOM 21 CA GLY A 2 18.417 -18.617 -21.169 1.00 51.54 C ATOM 22 C GLY A 2 19.221 -17.348 -20.908 1.00 54.22 C ATOM 23 O GLY A 2 18.949 -16.305 -21.504 1.00 62.01 O ATOM 0 H GLY A 2 19.642 -19.299 -22.738 1.00 24.53 H new ATOM 0 HA2 GLY A 2 17.524 -18.364 -21.740 1.00 51.54 H new ATOM 0 HA3 GLY A 2 18.081 -19.030 -20.218 1.00 51.54 H new ATOM 27 N HIS A 3 20.211 -17.444 -20.012 1.00 25.22 N ATOM 28 CA HIS A 3 21.086 -16.311 -19.639 1.00 31.05 C ATOM 29 C HIS A 3 20.362 -15.277 -18.757 1.00 64.13 C ATOM 30 O HIS A 3 20.869 -14.885 -17.706 1.00 72.22 O ATOM 31 CB HIS A 3 21.677 -15.626 -20.884 1.00 53.14 C ATOM 32 CG HIS A 3 22.636 -16.485 -21.663 1.00 50.34 C ATOM 33 ND1 HIS A 3 23.865 -16.036 -22.093 1.00 10.43 N ATOM 34 CD2 HIS A 3 22.534 -17.762 -22.105 1.00 41.33 C ATOM 35 CE1 HIS A 3 24.474 -16.991 -22.764 1.00 24.41 C ATOM 36 NE2 HIS A 3 23.691 -18.048 -22.787 1.00 2.21 N ATOM 0 H HIS A 3 20.433 -18.310 -19.520 1.00 25.22 H new ATOM 0 HA HIS A 3 21.901 -16.733 -19.051 1.00 31.05 H new ATOM 0 HB2 HIS A 3 20.861 -15.324 -21.541 1.00 53.14 H new ATOM 0 HB3 HIS A 3 22.191 -14.716 -20.575 1.00 53.14 H new ATOM 0 HD2 HIS A 3 21.699 -18.430 -21.950 1.00 41.33 H new ATOM 0 HE1 HIS A 3 25.451 -16.919 -23.219 1.00 24.41 H new ATOM 0 HE2 HIS A 3 23.908 -18.936 -23.239 1.00 2.21 H new ATOM 45 N HIS A 4 19.176 -14.843 -19.185 1.00 5.34 N ATOM 46 CA HIS A 4 18.418 -13.809 -18.470 1.00 21.35 C ATOM 47 C HIS A 4 18.075 -14.221 -17.026 1.00 43.32 C ATOM 48 O HIS A 4 17.581 -15.322 -16.775 1.00 34.13 O ATOM 49 CB HIS A 4 17.143 -13.458 -19.244 1.00 51.43 C ATOM 50 CG HIS A 4 17.422 -12.817 -20.569 1.00 22.40 C ATOM 51 ND1 HIS A 4 17.452 -11.451 -20.749 1.00 31.00 N ATOM 52 CD2 HIS A 4 17.703 -13.356 -21.780 1.00 35.14 C ATOM 53 CE1 HIS A 4 17.738 -11.179 -22.003 1.00 2.22 C ATOM 54 NE2 HIS A 4 17.895 -12.313 -22.648 1.00 24.12 N ATOM 0 H HIS A 4 18.716 -15.191 -20.026 1.00 5.34 H new ATOM 0 HA HIS A 4 19.057 -12.928 -18.405 1.00 21.35 H new ATOM 0 HB2 HIS A 4 16.558 -14.364 -19.401 1.00 51.43 H new ATOM 0 HB3 HIS A 4 16.532 -12.785 -18.642 1.00 51.43 H new ATOM 0 HD2 HIS A 4 17.764 -14.408 -22.016 1.00 35.14 H new ATOM 0 HE1 HIS A 4 17.829 -10.191 -22.430 1.00 2.22 H new ATOM 0 HE2 HIS A 4 18.124 -12.403 -23.638 1.00 24.12 H new ATOM 63 N HIS A 5 18.343 -13.306 -16.097 1.00 54.30 N ATOM 64 CA HIS A 5 18.143 -13.525 -14.661 1.00 65.21 C ATOM 65 C HIS A 5 16.724 -14.033 -14.327 1.00 45.53 C ATOM 66 O HIS A 5 15.727 -13.364 -14.606 1.00 0.20 O ATOM 67 CB HIS A 5 18.424 -12.209 -13.920 1.00 53.43 C ATOM 68 CG HIS A 5 18.322 -12.301 -12.429 1.00 54.22 C ATOM 69 ND1 HIS A 5 17.252 -11.807 -11.716 1.00 44.13 N ATOM 70 CD2 HIS A 5 19.178 -12.804 -11.510 1.00 12.33 C ATOM 71 CE1 HIS A 5 17.454 -11.996 -10.429 1.00 23.53 C ATOM 72 NE2 HIS A 5 18.616 -12.600 -10.274 1.00 53.00 N ATOM 0 H HIS A 5 18.709 -12.380 -16.320 1.00 54.30 H new ATOM 0 HA HIS A 5 18.833 -14.304 -14.338 1.00 65.21 H new ATOM 0 HB2 HIS A 5 19.425 -11.866 -14.182 1.00 53.43 H new ATOM 0 HB3 HIS A 5 17.724 -11.451 -14.273 1.00 53.43 H new ATOM 0 HD2 HIS A 5 20.127 -13.278 -11.711 1.00 12.33 H new ATOM 0 HE1 HIS A 5 16.782 -11.706 -9.635 1.00 23.53 H new ATOM 0 HE2 HIS A 5 19.030 -12.871 -9.382 1.00 53.00 H new ATOM 81 N HIS A 6 16.645 -15.219 -13.721 1.00 31.25 N ATOM 82 CA HIS A 6 15.363 -15.793 -13.291 1.00 43.53 C ATOM 83 C HIS A 6 15.093 -15.521 -11.797 1.00 1.11 C ATOM 84 O HIS A 6 15.895 -14.871 -11.124 1.00 53.52 O ATOM 85 CB HIS A 6 15.342 -17.297 -13.579 1.00 70.03 C ATOM 86 CG HIS A 6 15.371 -17.629 -15.038 1.00 11.45 C ATOM 87 ND1 HIS A 6 16.351 -18.401 -15.616 1.00 32.11 N ATOM 88 CD2 HIS A 6 14.515 -17.308 -16.039 1.00 30.30 C ATOM 89 CE1 HIS A 6 16.104 -18.540 -16.902 1.00 32.10 C ATOM 90 NE2 HIS A 6 14.996 -17.888 -17.186 1.00 25.43 N ATOM 0 H HIS A 6 17.455 -15.804 -13.515 1.00 31.25 H new ATOM 0 HA HIS A 6 14.567 -15.310 -13.859 1.00 43.53 H new ATOM 0 HB2 HIS A 6 16.198 -17.764 -13.092 1.00 70.03 H new ATOM 0 HB3 HIS A 6 14.447 -17.731 -13.134 1.00 70.03 H new ATOM 0 HD2 HIS A 6 13.621 -16.708 -15.950 1.00 30.30 H new ATOM 0 HE1 HIS A 6 16.708 -19.095 -17.605 1.00 32.10 H new ATOM 0 HE2 HIS A 6 14.565 -17.824 -18.108 1.00 25.43 H new ATOM 99 N HIS A 7 13.968 -16.023 -11.270 1.00 41.33 N ATOM 100 CA HIS A 7 13.543 -15.665 -9.904 1.00 24.52 C ATOM 101 C HIS A 7 12.958 -16.863 -9.113 1.00 12.34 C ATOM 102 O HIS A 7 12.156 -16.675 -8.198 1.00 34.33 O ATOM 103 CB HIS A 7 12.514 -14.523 -9.993 1.00 2.44 C ATOM 104 CG HIS A 7 12.213 -13.851 -8.684 1.00 15.44 C ATOM 105 ND1 HIS A 7 11.046 -14.053 -7.983 1.00 33.21 N ATOM 106 CD2 HIS A 7 12.929 -12.957 -7.959 1.00 64.31 C ATOM 107 CE1 HIS A 7 11.052 -13.317 -6.891 1.00 32.15 C ATOM 108 NE2 HIS A 7 12.183 -12.640 -6.850 1.00 10.44 N ATOM 0 H HIS A 7 13.344 -16.667 -11.756 1.00 41.33 H new ATOM 0 HA HIS A 7 14.427 -15.346 -9.351 1.00 24.52 H new ATOM 0 HB2 HIS A 7 12.881 -13.774 -10.695 1.00 2.44 H new ATOM 0 HB3 HIS A 7 11.586 -14.919 -10.405 1.00 2.44 H new ATOM 0 HD2 HIS A 7 13.905 -12.566 -8.207 1.00 64.31 H new ATOM 0 HE1 HIS A 7 10.264 -13.275 -6.154 1.00 32.15 H new ATOM 0 HE2 HIS A 7 12.459 -11.988 -6.115 1.00 10.44 H new ATOM 117 N HIS A 8 13.372 -18.090 -9.442 1.00 13.24 N ATOM 118 CA HIS A 8 12.937 -19.276 -8.677 1.00 44.33 C ATOM 119 C HIS A 8 14.121 -19.978 -7.989 1.00 12.55 C ATOM 120 O HIS A 8 15.245 -19.983 -8.498 1.00 20.01 O ATOM 121 CB HIS A 8 12.202 -20.271 -9.581 1.00 32.02 C ATOM 122 CG HIS A 8 10.939 -19.728 -10.174 1.00 32.45 C ATOM 123 ND1 HIS A 8 10.871 -19.206 -11.445 1.00 12.20 N ATOM 124 CD2 HIS A 8 9.684 -19.640 -9.668 1.00 41.43 C ATOM 125 CE1 HIS A 8 9.638 -18.819 -11.697 1.00 12.12 C ATOM 126 NE2 HIS A 8 8.899 -19.070 -10.638 1.00 33.22 N ATOM 0 H HIS A 8 13.999 -18.293 -10.220 1.00 13.24 H new ATOM 0 HA HIS A 8 12.254 -18.922 -7.905 1.00 44.33 H new ATOM 0 HB2 HIS A 8 12.869 -20.577 -10.387 1.00 32.02 H new ATOM 0 HB3 HIS A 8 11.967 -21.166 -9.005 1.00 32.02 H new ATOM 0 HD2 HIS A 8 9.363 -19.958 -8.687 1.00 41.43 H new ATOM 0 HE1 HIS A 8 9.292 -18.371 -12.617 1.00 12.12 H new ATOM 0 HE2 HIS A 8 7.902 -18.872 -10.552 1.00 33.22 H new ATOM 135 N SER A 9 13.849 -20.581 -6.834 1.00 43.15 N ATOM 136 CA SER A 9 14.868 -21.302 -6.053 1.00 30.35 C ATOM 137 C SER A 9 14.265 -22.536 -5.366 1.00 53.23 C ATOM 138 O SER A 9 13.274 -22.434 -4.638 1.00 12.21 O ATOM 139 CB SER A 9 15.493 -20.372 -5.001 1.00 32.32 C ATOM 140 OG SER A 9 14.498 -19.764 -4.185 1.00 45.01 O ATOM 0 H SER A 9 12.922 -20.587 -6.409 1.00 43.15 H new ATOM 0 HA SER A 9 15.644 -21.635 -6.742 1.00 30.35 H new ATOM 0 HB2 SER A 9 16.181 -20.940 -4.375 1.00 32.32 H new ATOM 0 HB3 SER A 9 16.079 -19.599 -5.499 1.00 32.32 H new ATOM 0 HG SER A 9 14.914 -19.086 -3.612 1.00 45.01 H new ATOM 146 N HIS A 10 14.862 -23.707 -5.598 1.00 24.45 N ATOM 147 CA HIS A 10 14.348 -24.958 -5.029 1.00 53.14 C ATOM 148 C HIS A 10 14.726 -25.100 -3.544 1.00 5.13 C ATOM 149 O HIS A 10 15.757 -25.682 -3.202 1.00 53.25 O ATOM 150 CB HIS A 10 14.858 -26.166 -5.831 1.00 34.41 C ATOM 151 CG HIS A 10 14.297 -27.478 -5.369 1.00 10.43 C ATOM 152 ND1 HIS A 10 14.799 -28.173 -4.290 1.00 71.42 N ATOM 153 CD2 HIS A 10 13.266 -28.221 -5.841 1.00 70.24 C ATOM 154 CE1 HIS A 10 14.107 -29.280 -4.118 1.00 15.32 C ATOM 155 NE2 HIS A 10 13.171 -29.334 -5.043 1.00 72.15 N ATOM 0 H HIS A 10 15.698 -23.817 -6.173 1.00 24.45 H new ATOM 0 HA HIS A 10 13.260 -24.928 -5.094 1.00 53.14 H new ATOM 0 HB2 HIS A 10 14.608 -26.024 -6.882 1.00 34.41 H new ATOM 0 HB3 HIS A 10 15.945 -26.202 -5.764 1.00 34.41 H new ATOM 0 HD1 HIS A 10 15.586 -27.876 -3.713 1.00 71.42 H new ATOM 0 HD2 HIS A 10 12.637 -27.982 -6.686 1.00 70.24 H new ATOM 0 HE1 HIS A 10 14.278 -30.019 -3.349 1.00 15.32 H new ATOM 164 N MET A 11 13.891 -24.546 -2.673 1.00 70.25 N ATOM 165 CA MET A 11 14.101 -24.624 -1.221 1.00 51.53 C ATOM 166 C MET A 11 12.802 -24.288 -0.472 1.00 70.42 C ATOM 167 O MET A 11 11.953 -23.571 -1.009 1.00 13.41 O ATOM 168 CB MET A 11 15.215 -23.657 -0.784 1.00 33.45 C ATOM 169 CG MET A 11 14.902 -22.192 -1.058 1.00 43.43 C ATOM 170 SD MET A 11 16.127 -21.071 -0.351 1.00 5.04 S ATOM 171 CE MET A 11 16.026 -21.504 1.387 1.00 32.02 C ATOM 0 H MET A 11 13.053 -24.032 -2.944 1.00 70.25 H new ATOM 0 HA MET A 11 14.400 -25.643 -0.976 1.00 51.53 H new ATOM 0 HB2 MET A 11 15.397 -23.786 0.283 1.00 33.45 H new ATOM 0 HB3 MET A 11 16.138 -23.924 -1.300 1.00 33.45 H new ATOM 0 HG2 MET A 11 14.848 -22.032 -2.135 1.00 43.43 H new ATOM 0 HG3 MET A 11 13.920 -21.953 -0.651 1.00 43.43 H new ATOM 0 HE1 MET A 11 16.385 -20.671 1.991 1.00 32.02 H new ATOM 0 HE2 MET A 11 14.990 -21.722 1.648 1.00 32.02 H new ATOM 0 HE3 MET A 11 16.641 -22.383 1.579 1.00 32.02 H new ATOM 181 N PRO A 12 12.622 -24.794 0.768 1.00 11.40 N ATOM 182 CA PRO A 12 11.432 -24.480 1.585 1.00 25.23 C ATOM 183 C PRO A 12 11.152 -22.967 1.666 1.00 51.34 C ATOM 184 O PRO A 12 11.853 -22.227 2.358 1.00 61.23 O ATOM 185 CB PRO A 12 11.793 -25.043 2.966 1.00 2.23 C ATOM 186 CG PRO A 12 12.746 -26.153 2.677 1.00 50.34 C ATOM 187 CD PRO A 12 13.541 -25.716 1.470 1.00 11.43 C ATOM 0 HA PRO A 12 10.522 -24.906 1.162 1.00 25.23 H new ATOM 0 HB2 PRO A 12 12.250 -24.282 3.598 1.00 2.23 H new ATOM 0 HB3 PRO A 12 10.909 -25.405 3.491 1.00 2.23 H new ATOM 0 HG2 PRO A 12 13.400 -26.337 3.529 1.00 50.34 H new ATOM 0 HG3 PRO A 12 12.213 -27.083 2.477 1.00 50.34 H new ATOM 0 HD2 PRO A 12 14.467 -25.218 1.758 1.00 11.43 H new ATOM 0 HD3 PRO A 12 13.817 -26.563 0.842 1.00 11.43 H new ATOM 195 N ASP A 13 10.141 -22.510 0.930 1.00 20.03 N ATOM 196 CA ASP A 13 9.826 -21.084 0.863 1.00 12.51 C ATOM 197 C ASP A 13 8.843 -20.682 1.978 1.00 31.23 C ATOM 198 O ASP A 13 7.746 -21.235 2.080 1.00 75.31 O ATOM 199 CB ASP A 13 9.243 -20.748 -0.514 1.00 41.52 C ATOM 200 CG ASP A 13 9.405 -19.281 -0.868 1.00 54.31 C ATOM 201 OD1 ASP A 13 8.819 -18.431 -0.170 1.00 61.12 O ATOM 202 OD2 ASP A 13 10.151 -18.979 -1.826 1.00 64.20 O ATOM 0 H ASP A 13 9.527 -23.104 0.373 1.00 20.03 H new ATOM 0 HA ASP A 13 10.745 -20.517 1.010 1.00 12.51 H new ATOM 0 HB2 ASP A 13 9.734 -21.358 -1.272 1.00 41.52 H new ATOM 0 HB3 ASP A 13 8.185 -21.008 -0.531 1.00 41.52 H new ATOM 207 N HIS A 14 9.237 -19.709 2.799 1.00 43.55 N ATOM 208 CA HIS A 14 8.431 -19.283 3.950 1.00 63.04 C ATOM 209 C HIS A 14 7.300 -18.319 3.536 1.00 23.22 C ATOM 210 O HIS A 14 6.465 -17.937 4.361 1.00 44.12 O ATOM 211 CB HIS A 14 9.350 -18.629 4.997 1.00 23.15 C ATOM 212 CG HIS A 14 8.680 -18.335 6.305 1.00 30.14 C ATOM 213 ND1 HIS A 14 8.674 -19.215 7.363 1.00 71.13 N ATOM 214 CD2 HIS A 14 7.986 -17.252 6.721 1.00 20.13 C ATOM 215 CE1 HIS A 14 8.007 -18.688 8.369 1.00 14.12 C ATOM 216 NE2 HIS A 14 7.579 -17.496 8.009 1.00 21.02 N ATOM 0 H HIS A 14 10.113 -19.197 2.690 1.00 43.55 H new ATOM 0 HA HIS A 14 7.953 -20.163 4.381 1.00 63.04 H new ATOM 0 HB2 HIS A 14 10.201 -19.285 5.177 1.00 23.15 H new ATOM 0 HB3 HIS A 14 9.745 -17.700 4.587 1.00 23.15 H new ATOM 0 HD2 HIS A 14 7.788 -16.359 6.146 1.00 20.13 H new ATOM 0 HE1 HIS A 14 7.839 -19.155 9.328 1.00 14.12 H new ATOM 0 HE2 HIS A 14 7.035 -16.859 8.591 1.00 21.02 H new ATOM 225 N GLY A 15 7.267 -17.950 2.257 1.00 60.21 N ATOM 226 CA GLY A 15 6.281 -16.994 1.770 1.00 33.32 C ATOM 227 C GLY A 15 4.830 -17.441 1.952 1.00 41.10 C ATOM 228 O GLY A 15 3.996 -16.667 2.421 1.00 31.03 O ATOM 0 H GLY A 15 7.909 -18.298 1.544 1.00 60.21 H new ATOM 0 HA2 GLY A 15 6.425 -16.046 2.288 1.00 33.32 H new ATOM 0 HA3 GLY A 15 6.462 -16.810 0.711 1.00 33.32 H new ATOM 232 N ASP A 16 4.522 -18.688 1.588 1.00 32.23 N ATOM 233 CA ASP A 16 3.135 -19.176 1.640 1.00 44.42 C ATOM 234 C ASP A 16 2.971 -20.454 2.495 1.00 13.10 C ATOM 235 O ASP A 16 2.223 -20.457 3.473 1.00 4.24 O ATOM 236 CB ASP A 16 2.610 -19.414 0.212 1.00 34.02 C ATOM 237 CG ASP A 16 3.484 -20.364 -0.592 1.00 43.15 C ATOM 238 OD1 ASP A 16 3.254 -21.591 -0.529 1.00 3.52 O ATOM 239 OD2 ASP A 16 4.410 -19.893 -1.283 1.00 62.02 O ATOM 0 H ASP A 16 5.202 -19.373 1.258 1.00 32.23 H new ATOM 0 HA ASP A 16 2.544 -18.402 2.129 1.00 44.42 H new ATOM 0 HB2 ASP A 16 1.599 -19.817 0.265 1.00 34.02 H new ATOM 0 HB3 ASP A 16 2.546 -18.459 -0.309 1.00 34.02 H new ATOM 244 N TRP A 17 3.663 -21.534 2.113 1.00 62.14 N ATOM 245 CA TRP A 17 3.478 -22.862 2.730 1.00 64.40 C ATOM 246 C TRP A 17 2.047 -23.401 2.538 1.00 54.34 C ATOM 247 O TRP A 17 1.645 -24.375 3.181 1.00 55.14 O ATOM 248 CB TRP A 17 3.859 -22.849 4.223 1.00 3.24 C ATOM 249 CG TRP A 17 5.337 -22.969 4.461 1.00 34.40 C ATOM 250 CD1 TRP A 17 6.200 -21.978 4.828 1.00 1.52 C ATOM 251 CD2 TRP A 17 6.123 -24.161 4.344 1.00 41.20 C ATOM 252 NE1 TRP A 17 7.473 -22.483 4.940 1.00 33.21 N ATOM 253 CE2 TRP A 17 7.452 -23.818 4.649 1.00 3.31 C ATOM 254 CE3 TRP A 17 5.830 -25.486 4.007 1.00 31.43 C ATOM 255 CZ2 TRP A 17 8.484 -24.752 4.632 1.00 63.14 C ATOM 256 CZ3 TRP A 17 6.855 -26.411 3.990 1.00 64.33 C ATOM 257 CH2 TRP A 17 8.169 -26.040 4.300 1.00 62.11 C ATOM 0 H TRP A 17 4.364 -21.517 1.372 1.00 62.14 H new ATOM 0 HA TRP A 17 4.154 -23.541 2.211 1.00 64.40 H new ATOM 0 HB2 TRP A 17 3.499 -21.924 4.674 1.00 3.24 H new ATOM 0 HB3 TRP A 17 3.349 -23.669 4.728 1.00 3.24 H new ATOM 0 HD1 TRP A 17 5.924 -20.949 5.004 1.00 1.52 H new ATOM 0 HE1 TRP A 17 8.301 -21.947 5.199 1.00 33.21 H new ATOM 0 HE3 TRP A 17 4.820 -25.781 3.764 1.00 31.43 H new ATOM 0 HZ2 TRP A 17 9.498 -24.469 4.873 1.00 63.14 H new ATOM 0 HZ3 TRP A 17 6.640 -27.438 3.733 1.00 64.33 H new ATOM 0 HH2 TRP A 17 8.949 -26.786 4.276 1.00 62.11 H new ATOM 268 N THR A 18 1.298 -22.796 1.616 1.00 41.10 N ATOM 269 CA THR A 18 -0.077 -23.224 1.310 1.00 30.35 C ATOM 270 C THR A 18 -0.240 -23.520 -0.186 1.00 44.11 C ATOM 271 O THR A 18 -0.064 -22.633 -1.024 1.00 12.54 O ATOM 272 CB THR A 18 -1.118 -22.147 1.715 1.00 21.14 C ATOM 273 OG1 THR A 18 -0.854 -20.912 1.029 1.00 64.45 O ATOM 274 CG2 THR A 18 -1.109 -21.907 3.223 1.00 10.33 C ATOM 0 H THR A 18 1.619 -22.002 1.062 1.00 41.10 H new ATOM 0 HA THR A 18 -0.256 -24.130 1.889 1.00 30.35 H new ATOM 0 HB THR A 18 -2.103 -22.516 1.430 1.00 21.14 H new ATOM 0 HG1 THR A 18 -0.492 -21.103 0.138 1.00 64.45 H new ATOM 0 HG21 THR A 18 -1.849 -21.147 3.475 1.00 10.33 H new ATOM 0 HG22 THR A 18 -1.351 -22.835 3.741 1.00 10.33 H new ATOM 0 HG23 THR A 18 -0.120 -21.567 3.531 1.00 10.33 H new ATOM 282 N TYR A 19 -0.573 -24.765 -0.527 1.00 74.11 N ATOM 283 CA TYR A 19 -0.740 -25.155 -1.935 1.00 34.33 C ATOM 284 C TYR A 19 -2.226 -25.355 -2.283 1.00 62.33 C ATOM 285 O TYR A 19 -2.819 -24.558 -3.015 1.00 11.55 O ATOM 286 CB TYR A 19 0.062 -26.429 -2.240 1.00 34.52 C ATOM 287 CG TYR A 19 0.232 -26.696 -3.727 1.00 3.12 C ATOM 288 CD1 TYR A 19 1.204 -26.021 -4.460 1.00 50.11 C ATOM 289 CD2 TYR A 19 -0.575 -27.610 -4.397 1.00 14.10 C ATOM 290 CE1 TYR A 19 1.368 -26.249 -5.812 1.00 43.13 C ATOM 291 CE2 TYR A 19 -0.414 -27.845 -5.751 1.00 43.44 C ATOM 292 CZ TYR A 19 0.557 -27.160 -6.453 1.00 53.40 C ATOM 293 OH TYR A 19 0.715 -27.384 -7.801 1.00 30.14 O ATOM 0 H TYR A 19 -0.732 -25.518 0.143 1.00 74.11 H new ATOM 0 HA TYR A 19 -0.356 -24.346 -2.556 1.00 34.33 H new ATOM 0 HB2 TYR A 19 1.046 -26.349 -1.778 1.00 34.52 H new ATOM 0 HB3 TYR A 19 -0.437 -27.282 -1.780 1.00 34.52 H new ATOM 0 HD1 TYR A 19 1.842 -25.306 -3.962 1.00 50.11 H new ATOM 0 HD2 TYR A 19 -1.339 -28.144 -3.852 1.00 14.10 H new ATOM 0 HE1 TYR A 19 2.128 -25.716 -6.364 1.00 43.13 H new ATOM 0 HE2 TYR A 19 -1.045 -28.561 -6.256 1.00 43.44 H new ATOM 0 HH TYR A 19 0.067 -28.056 -8.099 1.00 30.14 H new ATOM 303 N GLU A 20 -2.826 -26.423 -1.761 1.00 41.52 N ATOM 304 CA GLU A 20 -4.264 -26.672 -1.939 1.00 54.50 C ATOM 305 C GLU A 20 -5.089 -25.936 -0.871 1.00 62.31 C ATOM 306 O GLU A 20 -6.313 -25.821 -0.981 1.00 25.42 O ATOM 307 CB GLU A 20 -4.553 -28.182 -1.875 1.00 13.42 C ATOM 308 CG GLU A 20 -3.910 -28.986 -3.004 1.00 43.15 C ATOM 309 CD GLU A 20 -4.461 -28.626 -4.377 1.00 11.51 C ATOM 310 OE1 GLU A 20 -5.620 -28.992 -4.674 1.00 21.10 O ATOM 311 OE2 GLU A 20 -3.746 -27.974 -5.165 1.00 53.40 O ATOM 0 H GLU A 20 -2.343 -27.133 -1.210 1.00 41.52 H new ATOM 0 HA GLU A 20 -4.554 -26.291 -2.918 1.00 54.50 H new ATOM 0 HB2 GLU A 20 -4.199 -28.569 -0.920 1.00 13.42 H new ATOM 0 HB3 GLU A 20 -5.632 -28.337 -1.901 1.00 13.42 H new ATOM 0 HG2 GLU A 20 -2.833 -28.818 -2.995 1.00 43.15 H new ATOM 0 HG3 GLU A 20 -4.068 -30.049 -2.822 1.00 43.15 H new ATOM 318 N GLU A 21 -4.407 -25.434 0.158 1.00 25.44 N ATOM 319 CA GLU A 21 -5.061 -24.762 1.286 1.00 70.43 C ATOM 320 C GLU A 21 -5.413 -23.297 0.967 1.00 51.44 C ATOM 321 O GLU A 21 -5.130 -22.789 -0.123 1.00 61.14 O ATOM 322 CB GLU A 21 -4.157 -24.804 2.532 1.00 12.41 C ATOM 323 CG GLU A 21 -3.772 -26.207 3.006 1.00 72.52 C ATOM 324 CD GLU A 21 -2.837 -26.934 2.051 1.00 44.51 C ATOM 325 OE1 GLU A 21 -1.758 -26.384 1.733 1.00 14.45 O ATOM 326 OE2 GLU A 21 -3.179 -28.050 1.607 1.00 45.21 O ATOM 0 H GLU A 21 -3.391 -25.480 0.236 1.00 25.44 H new ATOM 0 HA GLU A 21 -5.989 -25.300 1.479 1.00 70.43 H new ATOM 0 HB2 GLU A 21 -3.245 -24.246 2.319 1.00 12.41 H new ATOM 0 HB3 GLU A 21 -4.664 -24.288 3.347 1.00 12.41 H new ATOM 0 HG2 GLU A 21 -3.295 -26.134 3.983 1.00 72.52 H new ATOM 0 HG3 GLU A 21 -4.678 -26.799 3.137 1.00 72.52 H new ATOM 333 N GLN A 22 -6.040 -22.627 1.932 1.00 55.15 N ATOM 334 CA GLN A 22 -6.336 -21.194 1.826 1.00 15.35 C ATOM 335 C GLN A 22 -5.133 -20.388 2.356 1.00 73.11 C ATOM 336 O GLN A 22 -4.444 -20.833 3.277 1.00 23.34 O ATOM 337 CB GLN A 22 -7.614 -20.863 2.631 1.00 1.34 C ATOM 338 CG GLN A 22 -8.496 -19.760 2.035 1.00 32.33 C ATOM 339 CD GLN A 22 -7.805 -18.412 1.911 1.00 53.43 C ATOM 340 OE1 GLN A 22 -7.218 -18.089 0.880 1.00 52.11 O ATOM 341 NE2 GLN A 22 -7.855 -17.620 2.963 1.00 22.23 N ATOM 0 H GLN A 22 -6.356 -23.054 2.803 1.00 55.15 H new ATOM 0 HA GLN A 22 -6.509 -20.927 0.783 1.00 15.35 H new ATOM 0 HB2 GLN A 22 -8.210 -21.771 2.725 1.00 1.34 H new ATOM 0 HB3 GLN A 22 -7.322 -20.567 3.639 1.00 1.34 H new ATOM 0 HG2 GLN A 22 -8.835 -20.074 1.048 1.00 32.33 H new ATOM 0 HG3 GLN A 22 -9.385 -19.645 2.656 1.00 32.33 H new ATOM 0 HE21 GLN A 22 -8.351 -17.919 3.803 1.00 22.23 H new ATOM 0 HE22 GLN A 22 -7.398 -16.708 2.937 1.00 22.23 H new ATOM 350 N PHE A 23 -4.874 -19.217 1.778 1.00 13.43 N ATOM 351 CA PHE A 23 -3.724 -18.403 2.187 1.00 20.42 C ATOM 352 C PHE A 23 -3.945 -17.803 3.591 1.00 24.33 C ATOM 353 O PHE A 23 -4.249 -16.619 3.745 1.00 44.12 O ATOM 354 CB PHE A 23 -3.455 -17.298 1.155 1.00 23.12 C ATOM 355 CG PHE A 23 -2.036 -16.785 1.178 1.00 73.43 C ATOM 356 CD1 PHE A 23 -1.633 -15.842 2.114 1.00 14.51 C ATOM 357 CD2 PHE A 23 -1.103 -17.255 0.265 1.00 43.42 C ATOM 358 CE1 PHE A 23 -0.331 -15.381 2.135 1.00 44.01 C ATOM 359 CE2 PHE A 23 0.199 -16.797 0.284 1.00 41.12 C ATOM 360 CZ PHE A 23 0.586 -15.859 1.218 1.00 52.45 C ATOM 0 H PHE A 23 -5.437 -18.810 1.031 1.00 13.43 H new ATOM 0 HA PHE A 23 -2.847 -19.049 2.234 1.00 20.42 H new ATOM 0 HB2 PHE A 23 -3.679 -17.680 0.159 1.00 23.12 H new ATOM 0 HB3 PHE A 23 -4.136 -16.467 1.338 1.00 23.12 H new ATOM 0 HD1 PHE A 23 -2.345 -15.465 2.833 1.00 14.51 H new ATOM 0 HD2 PHE A 23 -1.399 -17.989 -0.470 1.00 43.42 H new ATOM 0 HE1 PHE A 23 -0.030 -14.647 2.868 1.00 44.01 H new ATOM 0 HE2 PHE A 23 0.914 -17.173 -0.432 1.00 41.12 H new ATOM 0 HZ PHE A 23 1.604 -15.499 1.233 1.00 52.45 H new ATOM 370 N LYS A 24 -3.793 -18.647 4.609 1.00 54.33 N ATOM 371 CA LYS A 24 -4.054 -18.273 6.005 1.00 71.40 C ATOM 372 C LYS A 24 -2.985 -17.314 6.570 1.00 54.22 C ATOM 373 O LYS A 24 -3.224 -16.608 7.555 1.00 45.44 O ATOM 374 CB LYS A 24 -4.123 -19.548 6.860 1.00 13.42 C ATOM 375 CG LYS A 24 -4.607 -19.323 8.289 1.00 72.12 C ATOM 376 CD LYS A 24 -6.063 -18.863 8.335 1.00 21.43 C ATOM 377 CE LYS A 24 -6.553 -18.661 9.765 1.00 13.20 C ATOM 378 NZ LYS A 24 -6.427 -19.902 10.578 1.00 15.22 N ATOM 0 H LYS A 24 -3.485 -19.612 4.493 1.00 54.33 H new ATOM 0 HA LYS A 24 -5.004 -17.740 6.037 1.00 71.40 H new ATOM 0 HB2 LYS A 24 -4.787 -20.262 6.373 1.00 13.42 H new ATOM 0 HB3 LYS A 24 -3.133 -20.003 6.892 1.00 13.42 H new ATOM 0 HG2 LYS A 24 -4.501 -20.247 8.857 1.00 72.12 H new ATOM 0 HG3 LYS A 24 -3.976 -18.577 8.772 1.00 72.12 H new ATOM 0 HD2 LYS A 24 -6.166 -17.930 7.781 1.00 21.43 H new ATOM 0 HD3 LYS A 24 -6.692 -19.601 7.837 1.00 21.43 H new ATOM 0 HE2 LYS A 24 -5.981 -17.860 10.234 1.00 13.20 H new ATOM 0 HE3 LYS A 24 -7.595 -18.342 9.750 1.00 13.20 H new ATOM 0 HZ1 LYS A 24 -6.833 -19.741 11.522 1.00 15.22 H new ATOM 0 HZ2 LYS A 24 -6.937 -20.678 10.109 1.00 15.22 H new ATOM 0 HZ3 LYS A 24 -5.423 -20.155 10.672 1.00 15.22 H new ATOM 392 N GLN A 25 -1.815 -17.288 5.931 1.00 51.43 N ATOM 393 CA GLN A 25 -0.659 -16.529 6.432 1.00 51.43 C ATOM 394 C GLN A 25 -0.992 -15.060 6.753 1.00 73.33 C ATOM 395 O GLN A 25 -0.705 -14.585 7.853 1.00 33.10 O ATOM 396 CB GLN A 25 0.494 -16.591 5.421 1.00 5.02 C ATOM 397 CG GLN A 25 1.741 -15.824 5.860 1.00 55.24 C ATOM 398 CD GLN A 25 2.345 -16.358 7.152 1.00 65.31 C ATOM 399 OE1 GLN A 25 3.202 -17.231 7.134 1.00 75.11 O ATOM 400 NE2 GLN A 25 1.905 -15.836 8.281 1.00 43.42 N ATOM 0 H GLN A 25 -1.638 -17.786 5.059 1.00 51.43 H new ATOM 0 HA GLN A 25 -0.362 -17.000 7.369 1.00 51.43 H new ATOM 0 HB2 GLN A 25 0.761 -17.634 5.252 1.00 5.02 H new ATOM 0 HB3 GLN A 25 0.150 -16.192 4.467 1.00 5.02 H new ATOM 0 HG2 GLN A 25 2.489 -15.874 5.068 1.00 55.24 H new ATOM 0 HG3 GLN A 25 1.486 -14.772 5.992 1.00 55.24 H new ATOM 0 HE21 GLN A 25 1.189 -15.109 8.262 1.00 43.42 H new ATOM 0 HE22 GLN A 25 2.280 -16.159 9.173 1.00 43.42 H new ATOM 409 N LEU A 26 -1.597 -14.345 5.799 1.00 30.54 N ATOM 410 CA LEU A 26 -1.900 -12.912 5.979 1.00 0.40 C ATOM 411 C LEU A 26 -2.767 -12.645 7.223 1.00 3.24 C ATOM 412 O LEU A 26 -2.698 -11.566 7.814 1.00 72.54 O ATOM 413 CB LEU A 26 -2.589 -12.333 4.734 1.00 43.05 C ATOM 414 CG LEU A 26 -1.692 -12.153 3.499 1.00 12.32 C ATOM 415 CD1 LEU A 26 -2.484 -11.539 2.348 1.00 63.05 C ATOM 416 CD2 LEU A 26 -0.476 -11.292 3.836 1.00 23.35 C ATOM 0 H LEU A 26 -1.887 -14.727 4.899 1.00 30.54 H new ATOM 0 HA LEU A 26 -0.943 -12.412 6.127 1.00 0.40 H new ATOM 0 HB2 LEU A 26 -3.420 -12.985 4.465 1.00 43.05 H new ATOM 0 HB3 LEU A 26 -3.016 -11.364 4.995 1.00 43.05 H new ATOM 0 HG LEU A 26 -1.337 -13.135 3.187 1.00 12.32 H new ATOM 0 HD11 LEU A 26 -1.833 -11.419 1.482 1.00 63.05 H new ATOM 0 HD12 LEU A 26 -3.316 -12.194 2.089 1.00 63.05 H new ATOM 0 HD13 LEU A 26 -2.869 -10.565 2.650 1.00 63.05 H new ATOM 0 HD21 LEU A 26 0.146 -11.177 2.948 1.00 23.35 H new ATOM 0 HD22 LEU A 26 -0.808 -10.311 4.176 1.00 23.35 H new ATOM 0 HD23 LEU A 26 0.103 -11.773 4.625 1.00 23.35 H new ATOM 428 N TYR A 27 -3.574 -13.624 7.617 1.00 54.40 N ATOM 429 CA TYR A 27 -4.428 -13.484 8.801 1.00 43.14 C ATOM 430 C TYR A 27 -3.629 -13.738 10.089 1.00 51.02 C ATOM 431 O TYR A 27 -3.694 -12.961 11.045 1.00 54.03 O ATOM 432 CB TYR A 27 -5.607 -14.462 8.722 1.00 1.43 C ATOM 433 CG TYR A 27 -6.389 -14.378 7.422 1.00 63.23 C ATOM 434 CD1 TYR A 27 -7.201 -13.286 7.142 1.00 35.44 C ATOM 435 CD2 TYR A 27 -6.317 -15.397 6.479 1.00 53.25 C ATOM 436 CE1 TYR A 27 -7.920 -13.213 5.962 1.00 53.11 C ATOM 437 CE2 TYR A 27 -7.029 -15.330 5.299 1.00 3.31 C ATOM 438 CZ TYR A 27 -7.829 -14.237 5.043 1.00 21.43 C ATOM 439 OH TYR A 27 -8.546 -14.175 3.870 1.00 62.10 O ATOM 0 H TYR A 27 -3.658 -14.521 7.139 1.00 54.40 H new ATOM 0 HA TYR A 27 -4.807 -12.462 8.825 1.00 43.14 H new ATOM 0 HB2 TYR A 27 -5.232 -15.478 8.845 1.00 1.43 H new ATOM 0 HB3 TYR A 27 -6.283 -14.269 9.555 1.00 1.43 H new ATOM 0 HD1 TYR A 27 -7.272 -12.480 7.858 1.00 35.44 H new ATOM 0 HD2 TYR A 27 -5.693 -16.256 6.674 1.00 53.25 H new ATOM 0 HE1 TYR A 27 -8.549 -12.358 5.762 1.00 53.11 H new ATOM 0 HE2 TYR A 27 -6.960 -16.131 4.578 1.00 3.31 H new ATOM 0 HH TYR A 27 -8.367 -14.976 3.335 1.00 62.10 H new ATOM 449 N GLU A 28 -2.857 -14.824 10.096 1.00 44.24 N ATOM 450 CA GLU A 28 -2.110 -15.245 11.289 1.00 73.40 C ATOM 451 C GLU A 28 -0.671 -14.708 11.308 1.00 72.13 C ATOM 452 O GLU A 28 0.199 -15.293 11.959 1.00 1.22 O ATOM 453 CB GLU A 28 -2.087 -16.777 11.384 1.00 41.13 C ATOM 454 CG GLU A 28 -3.467 -17.410 11.485 1.00 42.12 C ATOM 455 CD GLU A 28 -3.409 -18.908 11.746 1.00 33.11 C ATOM 456 OE1 GLU A 28 -2.717 -19.622 10.991 1.00 12.43 O ATOM 457 OE2 GLU A 28 -4.069 -19.380 12.694 1.00 0.34 O ATOM 0 H GLU A 28 -2.730 -15.433 9.288 1.00 44.24 H new ATOM 0 HA GLU A 28 -2.628 -14.823 12.150 1.00 73.40 H new ATOM 0 HB2 GLU A 28 -1.578 -17.178 10.508 1.00 41.13 H new ATOM 0 HB3 GLU A 28 -1.500 -17.068 12.255 1.00 41.13 H new ATOM 0 HG2 GLU A 28 -4.026 -16.927 12.287 1.00 42.12 H new ATOM 0 HG3 GLU A 28 -4.014 -17.228 10.560 1.00 42.12 H new ATOM 464 N LEU A 29 -0.411 -13.595 10.614 1.00 0.03 N ATOM 465 CA LEU A 29 0.914 -12.954 10.676 1.00 11.32 C ATOM 466 C LEU A 29 1.333 -12.750 12.140 1.00 54.35 C ATOM 467 O LEU A 29 2.402 -13.189 12.562 1.00 14.13 O ATOM 468 CB LEU A 29 0.892 -11.602 9.945 1.00 61.11 C ATOM 469 CG LEU A 29 0.595 -11.668 8.438 1.00 1.53 C ATOM 470 CD1 LEU A 29 0.409 -10.265 7.861 1.00 40.33 C ATOM 471 CD2 LEU A 29 1.707 -12.412 7.698 1.00 33.32 C ATOM 0 H LEU A 29 -1.085 -13.123 10.012 1.00 0.03 H new ATOM 0 HA LEU A 29 1.637 -13.605 10.185 1.00 11.32 H new ATOM 0 HB2 LEU A 29 0.144 -10.966 10.417 1.00 61.11 H new ATOM 0 HB3 LEU A 29 1.858 -11.117 10.086 1.00 61.11 H new ATOM 0 HG LEU A 29 -0.335 -12.220 8.300 1.00 1.53 H new ATOM 0 HD11 LEU A 29 0.200 -10.335 6.794 1.00 40.33 H new ATOM 0 HD12 LEU A 29 -0.424 -9.773 8.362 1.00 40.33 H new ATOM 0 HD13 LEU A 29 1.319 -9.685 8.015 1.00 40.33 H new ATOM 0 HD21 LEU A 29 1.476 -12.447 6.633 1.00 33.32 H new ATOM 0 HD22 LEU A 29 2.654 -11.893 7.847 1.00 33.32 H new ATOM 0 HD23 LEU A 29 1.785 -13.428 8.085 1.00 33.32 H new ATOM 483 N ASP A 30 0.479 -12.070 12.902 1.00 44.00 N ATOM 484 CA ASP A 30 0.578 -12.048 14.365 1.00 71.33 C ATOM 485 C ASP A 30 -0.715 -12.578 15.018 1.00 74.23 C ATOM 486 O ASP A 30 -0.834 -12.629 16.244 1.00 65.35 O ATOM 487 CB ASP A 30 0.904 -10.636 14.852 1.00 42.02 C ATOM 488 CG ASP A 30 2.262 -10.181 14.358 1.00 42.31 C ATOM 489 OD1 ASP A 30 3.280 -10.632 14.921 1.00 52.31 O ATOM 490 OD2 ASP A 30 2.323 -9.382 13.405 1.00 51.24 O ATOM 0 H ASP A 30 -0.296 -11.522 12.529 1.00 44.00 H new ATOM 0 HA ASP A 30 1.390 -12.710 14.665 1.00 71.33 H new ATOM 0 HB2 ASP A 30 0.138 -9.943 14.504 1.00 42.02 H new ATOM 0 HB3 ASP A 30 0.885 -10.612 15.942 1.00 42.02 H new ATOM 495 N GLY A 31 -1.683 -12.970 14.182 1.00 33.34 N ATOM 496 CA GLY A 31 -2.956 -13.494 14.678 1.00 64.02 C ATOM 497 C GLY A 31 -3.820 -12.440 15.369 1.00 20.53 C ATOM 498 O GLY A 31 -4.249 -12.628 16.508 1.00 32.13 O ATOM 0 H GLY A 31 -1.608 -12.934 13.165 1.00 33.34 H new ATOM 0 HA2 GLY A 31 -3.514 -13.920 13.844 1.00 64.02 H new ATOM 0 HA3 GLY A 31 -2.758 -14.306 15.378 1.00 64.02 H new ATOM 502 N ASP A 32 -4.085 -11.335 14.676 1.00 41.12 N ATOM 503 CA ASP A 32 -4.866 -10.226 15.246 1.00 14.44 C ATOM 504 C ASP A 32 -6.310 -10.220 14.718 1.00 10.30 C ATOM 505 O ASP A 32 -6.537 -10.366 13.514 1.00 52.15 O ATOM 506 CB ASP A 32 -4.208 -8.886 14.909 1.00 51.01 C ATOM 507 CG ASP A 32 -2.735 -8.873 15.242 1.00 52.13 C ATOM 508 OD1 ASP A 32 -1.945 -9.371 14.425 1.00 11.30 O ATOM 509 OD2 ASP A 32 -2.362 -8.368 16.321 1.00 33.42 O ATOM 0 H ASP A 32 -3.773 -11.178 13.718 1.00 41.12 H new ATOM 0 HA ASP A 32 -4.891 -10.369 16.326 1.00 14.44 H new ATOM 0 HB2 ASP A 32 -4.341 -8.675 13.848 1.00 51.01 H new ATOM 0 HB3 ASP A 32 -4.710 -8.089 15.458 1.00 51.01 H new ATOM 514 N PRO A 33 -7.304 -10.032 15.608 1.00 72.22 N ATOM 515 CA PRO A 33 -8.717 -9.896 15.205 1.00 74.10 C ATOM 516 C PRO A 33 -8.931 -8.739 14.207 1.00 74.22 C ATOM 517 O PRO A 33 -9.685 -8.866 13.243 1.00 70.32 O ATOM 518 CB PRO A 33 -9.453 -9.626 16.531 1.00 14.41 C ATOM 519 CG PRO A 33 -8.389 -9.230 17.504 1.00 74.33 C ATOM 520 CD PRO A 33 -7.141 -9.948 17.071 1.00 72.00 C ATOM 0 HA PRO A 33 -9.080 -10.783 14.686 1.00 74.10 H new ATOM 0 HB2 PRO A 33 -10.193 -8.834 16.415 1.00 14.41 H new ATOM 0 HB3 PRO A 33 -9.986 -10.513 16.872 1.00 14.41 H new ATOM 0 HG2 PRO A 33 -8.239 -8.150 17.500 1.00 74.33 H new ATOM 0 HG3 PRO A 33 -8.667 -9.509 18.520 1.00 74.33 H new ATOM 0 HD2 PRO A 33 -6.241 -9.398 17.347 1.00 72.00 H new ATOM 0 HD3 PRO A 33 -7.063 -10.935 17.527 1.00 72.00 H new ATOM 528 N LYS A 34 -8.239 -7.619 14.429 1.00 71.34 N ATOM 529 CA LYS A 34 -8.350 -6.452 13.542 1.00 31.15 C ATOM 530 C LYS A 34 -7.664 -6.696 12.185 1.00 45.43 C ATOM 531 O LYS A 34 -7.978 -6.036 11.192 1.00 44.12 O ATOM 532 CB LYS A 34 -7.745 -5.207 14.212 1.00 21.43 C ATOM 533 CG LYS A 34 -8.388 -4.832 15.549 1.00 63.12 C ATOM 534 CD LYS A 34 -9.896 -4.622 15.428 1.00 61.33 C ATOM 535 CE LYS A 34 -10.250 -3.509 14.445 1.00 2.52 C ATOM 536 NZ LYS A 34 -11.719 -3.400 14.247 1.00 54.33 N ATOM 0 H LYS A 34 -7.597 -7.493 15.212 1.00 71.34 H new ATOM 0 HA LYS A 34 -9.412 -6.286 13.359 1.00 31.15 H new ATOM 0 HB2 LYS A 34 -6.680 -5.376 14.370 1.00 21.43 H new ATOM 0 HB3 LYS A 34 -7.836 -4.362 13.530 1.00 21.43 H new ATOM 0 HG2 LYS A 34 -8.190 -5.618 16.278 1.00 63.12 H new ATOM 0 HG3 LYS A 34 -7.926 -3.921 15.929 1.00 63.12 H new ATOM 0 HD2 LYS A 34 -10.365 -5.551 15.105 1.00 61.33 H new ATOM 0 HD3 LYS A 34 -10.307 -4.382 16.409 1.00 61.33 H new ATOM 0 HE2 LYS A 34 -9.861 -2.560 14.814 1.00 2.52 H new ATOM 0 HE3 LYS A 34 -9.767 -3.701 13.487 1.00 2.52 H new ATOM 0 HZ1 LYS A 34 -11.917 -2.730 13.476 1.00 54.33 H new ATOM 0 HZ2 LYS A 34 -12.107 -4.334 14.002 1.00 54.33 H new ATOM 0 HZ3 LYS A 34 -12.163 -3.060 15.124 1.00 54.33 H new ATOM 550 N ARG A 35 -6.737 -7.653 12.143 1.00 53.44 N ATOM 551 CA ARG A 35 -5.962 -7.921 10.925 1.00 71.32 C ATOM 552 C ARG A 35 -6.829 -8.564 9.829 1.00 11.21 C ATOM 553 O ARG A 35 -6.789 -8.141 8.673 1.00 42.34 O ATOM 554 CB ARG A 35 -4.751 -8.815 11.242 1.00 75.12 C ATOM 555 CG ARG A 35 -3.765 -8.962 10.082 1.00 11.41 C ATOM 556 CD ARG A 35 -2.523 -9.765 10.473 1.00 62.22 C ATOM 557 NE ARG A 35 -1.857 -9.217 11.659 1.00 34.23 N ATOM 558 CZ ARG A 35 -0.719 -8.565 11.651 1.00 13.15 C ATOM 559 NH1 ARG A 35 -0.098 -8.319 10.544 1.00 1.21 N ATOM 560 NH2 ARG A 35 -0.209 -8.163 12.768 1.00 24.23 N ATOM 0 H ARG A 35 -6.503 -8.255 12.933 1.00 53.44 H new ATOM 0 HA ARG A 35 -5.605 -6.963 10.546 1.00 71.32 H new ATOM 0 HB2 ARG A 35 -4.224 -8.404 12.103 1.00 75.12 H new ATOM 0 HB3 ARG A 35 -5.108 -9.804 11.529 1.00 75.12 H new ATOM 0 HG2 ARG A 35 -4.263 -9.452 9.245 1.00 11.41 H new ATOM 0 HG3 ARG A 35 -3.462 -7.973 9.738 1.00 11.41 H new ATOM 0 HD2 ARG A 35 -2.807 -10.800 10.664 1.00 62.22 H new ATOM 0 HD3 ARG A 35 -1.822 -9.776 9.638 1.00 62.22 H new ATOM 0 HE ARG A 35 -2.314 -9.354 12.560 1.00 34.23 H new ATOM 0 HH11 ARG A 35 -0.492 -8.633 9.657 1.00 1.21 H new ATOM 0 HH12 ARG A 35 0.786 -7.810 10.557 1.00 1.21 H new ATOM 0 HH21 ARG A 35 -0.691 -8.353 13.647 1.00 24.23 H new ATOM 0 HH22 ARG A 35 0.676 -7.655 12.771 1.00 24.23 H new ATOM 574 N LYS A 36 -7.618 -9.583 10.189 1.00 2.20 N ATOM 575 CA LYS A 36 -8.469 -10.260 9.199 1.00 24.32 C ATOM 576 C LYS A 36 -9.675 -9.395 8.799 1.00 42.01 C ATOM 577 O LYS A 36 -10.149 -9.491 7.670 1.00 5.41 O ATOM 578 CB LYS A 36 -8.944 -11.651 9.670 1.00 62.35 C ATOM 579 CG LYS A 36 -9.820 -11.667 10.923 1.00 43.43 C ATOM 580 CD LYS A 36 -9.005 -11.812 12.206 1.00 24.12 C ATOM 581 CE LYS A 36 -8.214 -13.119 12.246 1.00 33.51 C ATOM 582 NZ LYS A 36 -9.092 -14.320 12.190 1.00 30.14 N ATOM 0 H LYS A 36 -7.686 -9.952 11.137 1.00 2.20 H new ATOM 0 HA LYS A 36 -7.841 -10.409 8.321 1.00 24.32 H new ATOM 0 HB2 LYS A 36 -9.498 -12.119 8.857 1.00 62.35 H new ATOM 0 HB3 LYS A 36 -8.066 -12.270 9.856 1.00 62.35 H new ATOM 0 HG2 LYS A 36 -10.401 -10.746 10.968 1.00 43.43 H new ATOM 0 HG3 LYS A 36 -10.532 -12.490 10.854 1.00 43.43 H new ATOM 0 HD2 LYS A 36 -8.317 -10.971 12.294 1.00 24.12 H new ATOM 0 HD3 LYS A 36 -9.674 -11.768 13.066 1.00 24.12 H new ATOM 0 HE2 LYS A 36 -7.517 -13.144 11.408 1.00 33.51 H new ATOM 0 HE3 LYS A 36 -7.618 -13.151 13.158 1.00 33.51 H new ATOM 0 HZ1 LYS A 36 -8.523 -15.174 12.356 1.00 30.14 H new ATOM 0 HZ2 LYS A 36 -9.828 -14.247 12.922 1.00 30.14 H new ATOM 0 HZ3 LYS A 36 -9.540 -14.379 11.253 1.00 30.14 H new ATOM 596 N GLU A 37 -10.169 -8.552 9.715 1.00 42.05 N ATOM 597 CA GLU A 37 -11.247 -7.605 9.379 1.00 11.25 C ATOM 598 C GLU A 37 -10.821 -6.688 8.227 1.00 14.22 C ATOM 599 O GLU A 37 -11.496 -6.604 7.200 1.00 24.45 O ATOM 600 CB GLU A 37 -11.644 -6.745 10.589 1.00 13.43 C ATOM 601 CG GLU A 37 -12.286 -7.522 11.730 1.00 0.54 C ATOM 602 CD GLU A 37 -12.845 -6.604 12.807 1.00 1.22 C ATOM 603 OE1 GLU A 37 -12.073 -6.151 13.671 1.00 2.13 O ATOM 604 OE2 GLU A 37 -14.063 -6.319 12.785 1.00 41.21 O ATOM 0 H GLU A 37 -9.847 -8.504 10.682 1.00 42.05 H new ATOM 0 HA GLU A 37 -12.110 -8.197 9.076 1.00 11.25 H new ATOM 0 HB2 GLU A 37 -10.756 -6.238 10.966 1.00 13.43 H new ATOM 0 HB3 GLU A 37 -12.337 -5.971 10.258 1.00 13.43 H new ATOM 0 HG2 GLU A 37 -13.087 -8.147 11.336 1.00 0.54 H new ATOM 0 HG3 GLU A 37 -11.548 -8.191 12.172 1.00 0.54 H new ATOM 611 N PHE A 38 -9.685 -6.008 8.404 1.00 15.12 N ATOM 612 CA PHE A 38 -9.124 -5.150 7.357 1.00 10.34 C ATOM 613 C PHE A 38 -9.026 -5.897 6.021 1.00 40.12 C ATOM 614 O PHE A 38 -9.481 -5.409 4.990 1.00 11.32 O ATOM 615 CB PHE A 38 -7.735 -4.638 7.768 1.00 50.11 C ATOM 616 CG PHE A 38 -7.013 -3.898 6.666 1.00 34.03 C ATOM 617 CD1 PHE A 38 -7.294 -2.563 6.407 1.00 62.10 C ATOM 618 CD2 PHE A 38 -6.064 -4.542 5.879 1.00 24.54 C ATOM 619 CE1 PHE A 38 -6.643 -1.890 5.392 1.00 30.21 C ATOM 620 CE2 PHE A 38 -5.414 -3.870 4.861 1.00 51.34 C ATOM 621 CZ PHE A 38 -5.705 -2.543 4.618 1.00 21.14 C ATOM 0 H PHE A 38 -9.136 -6.035 9.263 1.00 15.12 H new ATOM 0 HA PHE A 38 -9.796 -4.301 7.230 1.00 10.34 H new ATOM 0 HB2 PHE A 38 -7.840 -3.978 8.629 1.00 50.11 H new ATOM 0 HB3 PHE A 38 -7.125 -5.483 8.087 1.00 50.11 H new ATOM 0 HD1 PHE A 38 -8.029 -2.046 7.006 1.00 62.10 H new ATOM 0 HD2 PHE A 38 -5.832 -5.580 6.066 1.00 24.54 H new ATOM 0 HE1 PHE A 38 -6.868 -0.851 5.203 1.00 30.21 H new ATOM 0 HE2 PHE A 38 -4.680 -4.382 4.257 1.00 51.34 H new ATOM 0 HZ PHE A 38 -5.199 -2.016 3.823 1.00 21.14 H new ATOM 631 N LEU A 39 -8.428 -7.087 6.054 1.00 1.25 N ATOM 632 CA LEU A 39 -8.254 -7.903 4.848 1.00 35.25 C ATOM 633 C LEU A 39 -9.605 -8.332 4.251 1.00 75.55 C ATOM 634 O LEU A 39 -9.757 -8.399 3.031 1.00 13.21 O ATOM 635 CB LEU A 39 -7.398 -9.136 5.165 1.00 53.25 C ATOM 636 CG LEU A 39 -5.966 -8.830 5.637 1.00 15.02 C ATOM 637 CD1 LEU A 39 -5.237 -10.114 6.023 1.00 74.55 C ATOM 638 CD2 LEU A 39 -5.192 -8.070 4.561 1.00 20.13 C ATOM 0 H LEU A 39 -8.054 -7.510 6.903 1.00 1.25 H new ATOM 0 HA LEU A 39 -7.744 -7.292 4.104 1.00 35.25 H new ATOM 0 HB2 LEU A 39 -7.901 -9.721 5.935 1.00 53.25 H new ATOM 0 HB3 LEU A 39 -7.345 -9.762 4.274 1.00 53.25 H new ATOM 0 HG LEU A 39 -6.028 -8.196 6.522 1.00 15.02 H new ATOM 0 HD11 LEU A 39 -4.227 -9.873 6.354 1.00 74.55 H new ATOM 0 HD12 LEU A 39 -5.775 -10.609 6.831 1.00 74.55 H new ATOM 0 HD13 LEU A 39 -5.188 -10.778 5.160 1.00 74.55 H new ATOM 0 HD21 LEU A 39 -4.182 -7.864 4.916 1.00 20.13 H new ATOM 0 HD22 LEU A 39 -5.142 -8.673 3.654 1.00 20.13 H new ATOM 0 HD23 LEU A 39 -5.699 -7.130 4.344 1.00 20.13 H new ATOM 650 N ASP A 40 -10.584 -8.601 5.111 1.00 11.32 N ATOM 651 CA ASP A 40 -11.912 -9.030 4.663 1.00 71.03 C ATOM 652 C ASP A 40 -12.639 -7.899 3.917 1.00 30.11 C ATOM 653 O ASP A 40 -13.101 -8.085 2.788 1.00 33.53 O ATOM 654 CB ASP A 40 -12.740 -9.495 5.865 1.00 32.23 C ATOM 655 CG ASP A 40 -14.083 -10.072 5.455 1.00 41.11 C ATOM 656 OD1 ASP A 40 -14.139 -11.272 5.109 1.00 21.43 O ATOM 657 OD2 ASP A 40 -15.089 -9.336 5.480 1.00 73.30 O ATOM 0 H ASP A 40 -10.485 -8.530 6.124 1.00 11.32 H new ATOM 0 HA ASP A 40 -11.789 -9.861 3.969 1.00 71.03 H new ATOM 0 HB2 ASP A 40 -12.179 -10.247 6.420 1.00 32.23 H new ATOM 0 HB3 ASP A 40 -12.900 -8.654 6.540 1.00 32.23 H new ATOM 662 N ASP A 41 -12.723 -6.725 4.543 1.00 14.55 N ATOM 663 CA ASP A 41 -13.323 -5.549 3.903 1.00 54.43 C ATOM 664 C ASP A 41 -12.509 -5.112 2.677 1.00 61.52 C ATOM 665 O ASP A 41 -13.071 -4.697 1.662 1.00 24.43 O ATOM 666 CB ASP A 41 -13.436 -4.396 4.906 1.00 51.23 C ATOM 667 CG ASP A 41 -14.483 -4.657 5.975 1.00 53.32 C ATOM 668 OD1 ASP A 41 -14.161 -5.296 6.996 1.00 33.31 O ATOM 669 OD2 ASP A 41 -15.642 -4.224 5.798 1.00 14.13 O ATOM 0 H ASP A 41 -12.384 -6.561 5.491 1.00 14.55 H new ATOM 0 HA ASP A 41 -14.323 -5.821 3.565 1.00 54.43 H new ATOM 0 HB2 ASP A 41 -12.468 -4.236 5.381 1.00 51.23 H new ATOM 0 HB3 ASP A 41 -13.686 -3.478 4.373 1.00 51.23 H new ATOM 674 N LEU A 42 -11.183 -5.209 2.780 1.00 13.45 N ATOM 675 CA LEU A 42 -10.286 -4.910 1.656 1.00 52.23 C ATOM 676 C LEU A 42 -10.620 -5.779 0.436 1.00 13.13 C ATOM 677 O LEU A 42 -10.943 -5.262 -0.635 1.00 0.33 O ATOM 678 CB LEU A 42 -8.826 -5.142 2.070 1.00 13.55 C ATOM 679 CG LEU A 42 -7.781 -4.955 0.958 1.00 30.24 C ATOM 680 CD1 LEU A 42 -7.706 -3.495 0.518 1.00 72.12 C ATOM 681 CD2 LEU A 42 -6.416 -5.461 1.417 1.00 5.43 C ATOM 0 H LEU A 42 -10.702 -5.493 3.633 1.00 13.45 H new ATOM 0 HA LEU A 42 -10.425 -3.864 1.383 1.00 52.23 H new ATOM 0 HB2 LEU A 42 -8.586 -4.461 2.887 1.00 13.55 H new ATOM 0 HB3 LEU A 42 -8.735 -6.155 2.462 1.00 13.55 H new ATOM 0 HG LEU A 42 -8.090 -5.545 0.095 1.00 30.24 H new ATOM 0 HD11 LEU A 42 -6.959 -3.390 -0.269 1.00 72.12 H new ATOM 0 HD12 LEU A 42 -8.678 -3.178 0.141 1.00 72.12 H new ATOM 0 HD13 LEU A 42 -7.427 -2.873 1.368 1.00 72.12 H new ATOM 0 HD21 LEU A 42 -5.688 -5.321 0.618 1.00 5.43 H new ATOM 0 HD22 LEU A 42 -6.099 -4.903 2.298 1.00 5.43 H new ATOM 0 HD23 LEU A 42 -6.485 -6.521 1.663 1.00 5.43 H new ATOM 693 N PHE A 43 -10.561 -7.099 0.616 1.00 63.44 N ATOM 694 CA PHE A 43 -10.846 -8.043 -0.470 1.00 31.10 C ATOM 695 C PHE A 43 -12.268 -7.852 -1.011 1.00 64.54 C ATOM 696 O PHE A 43 -12.480 -7.836 -2.220 1.00 40.22 O ATOM 697 CB PHE A 43 -10.652 -9.496 0.001 1.00 32.23 C ATOM 698 CG PHE A 43 -9.248 -9.823 0.472 1.00 10.34 C ATOM 699 CD1 PHE A 43 -8.169 -9.009 0.143 1.00 12.51 C ATOM 700 CD2 PHE A 43 -9.011 -10.953 1.247 1.00 35.04 C ATOM 701 CE1 PHE A 43 -6.892 -9.315 0.576 1.00 22.23 C ATOM 702 CE2 PHE A 43 -7.735 -11.261 1.681 1.00 21.34 C ATOM 703 CZ PHE A 43 -6.674 -10.442 1.347 1.00 22.33 C ATOM 0 H PHE A 43 -10.319 -7.541 1.503 1.00 63.44 H new ATOM 0 HA PHE A 43 -10.141 -7.839 -1.276 1.00 31.10 H new ATOM 0 HB2 PHE A 43 -11.350 -9.697 0.813 1.00 32.23 H new ATOM 0 HB3 PHE A 43 -10.913 -10.168 -0.817 1.00 32.23 H new ATOM 0 HD1 PHE A 43 -8.331 -8.127 -0.458 1.00 12.51 H new ATOM 0 HD2 PHE A 43 -9.835 -11.599 1.513 1.00 35.04 H new ATOM 0 HE1 PHE A 43 -6.064 -8.673 0.312 1.00 22.23 H new ATOM 0 HE2 PHE A 43 -7.568 -12.143 2.282 1.00 21.34 H new ATOM 0 HZ PHE A 43 -5.677 -10.681 1.687 1.00 22.33 H new ATOM 713 N SER A 44 -13.237 -7.695 -0.106 1.00 12.40 N ATOM 714 CA SER A 44 -14.635 -7.448 -0.498 1.00 40.02 C ATOM 715 C SER A 44 -14.754 -6.187 -1.365 1.00 41.00 C ATOM 716 O SER A 44 -15.434 -6.186 -2.393 1.00 10.14 O ATOM 717 CB SER A 44 -15.537 -7.300 0.743 1.00 60.21 C ATOM 718 OG SER A 44 -15.554 -8.487 1.526 1.00 62.32 O ATOM 0 H SER A 44 -13.084 -7.734 0.902 1.00 12.40 H new ATOM 0 HA SER A 44 -14.964 -8.309 -1.080 1.00 40.02 H new ATOM 0 HB2 SER A 44 -15.184 -6.468 1.352 1.00 60.21 H new ATOM 0 HB3 SER A 44 -16.552 -7.057 0.428 1.00 60.21 H new ATOM 0 HG SER A 44 -14.737 -8.535 2.065 1.00 62.32 H new ATOM 724 N PHE A 45 -14.072 -5.122 -0.946 1.00 54.33 N ATOM 725 CA PHE A 45 -14.109 -3.837 -1.652 1.00 11.02 C ATOM 726 C PHE A 45 -13.429 -3.920 -3.031 1.00 30.32 C ATOM 727 O PHE A 45 -14.060 -3.662 -4.062 1.00 13.41 O ATOM 728 CB PHE A 45 -13.438 -2.752 -0.793 1.00 75.15 C ATOM 729 CG PHE A 45 -13.431 -1.382 -1.427 1.00 41.33 C ATOM 730 CD1 PHE A 45 -14.576 -0.596 -1.425 1.00 11.10 C ATOM 731 CD2 PHE A 45 -12.281 -0.879 -2.020 1.00 54.14 C ATOM 732 CE1 PHE A 45 -14.571 0.659 -2.000 1.00 10.42 C ATOM 733 CE2 PHE A 45 -12.273 0.375 -2.597 1.00 51.14 C ATOM 734 CZ PHE A 45 -13.418 1.144 -2.587 1.00 4.13 C ATOM 0 H PHE A 45 -13.482 -5.122 -0.114 1.00 54.33 H new ATOM 0 HA PHE A 45 -15.154 -3.577 -1.819 1.00 11.02 H new ATOM 0 HB2 PHE A 45 -13.952 -2.694 0.167 1.00 75.15 H new ATOM 0 HB3 PHE A 45 -12.410 -3.051 -0.587 1.00 75.15 H new ATOM 0 HD1 PHE A 45 -15.480 -0.971 -0.969 1.00 11.10 H new ATOM 0 HD2 PHE A 45 -11.381 -1.476 -2.030 1.00 54.14 H new ATOM 0 HE1 PHE A 45 -15.467 1.261 -1.991 1.00 10.42 H new ATOM 0 HE2 PHE A 45 -11.371 0.753 -3.056 1.00 51.14 H new ATOM 0 HZ PHE A 45 -13.413 2.125 -3.038 1.00 4.13 H new ATOM 744 N MET A 46 -12.146 -4.286 -3.051 1.00 55.30 N ATOM 745 CA MET A 46 -11.383 -4.336 -4.303 1.00 53.13 C ATOM 746 C MET A 46 -11.982 -5.358 -5.291 1.00 74.03 C ATOM 747 O MET A 46 -11.989 -5.127 -6.502 1.00 61.42 O ATOM 748 CB MET A 46 -9.898 -4.637 -4.035 1.00 10.05 C ATOM 749 CG MET A 46 -9.634 -5.987 -3.381 1.00 1.13 C ATOM 750 SD MET A 46 -7.882 -6.271 -3.072 1.00 24.32 S ATOM 751 CE MET A 46 -7.213 -6.076 -4.723 1.00 11.32 C ATOM 0 H MET A 46 -11.615 -4.551 -2.221 1.00 55.30 H new ATOM 0 HA MET A 46 -11.451 -3.351 -4.766 1.00 53.13 H new ATOM 0 HB2 MET A 46 -9.355 -4.593 -4.979 1.00 10.05 H new ATOM 0 HB3 MET A 46 -9.491 -3.853 -3.397 1.00 10.05 H new ATOM 0 HG2 MET A 46 -10.180 -6.044 -2.439 1.00 1.13 H new ATOM 0 HG3 MET A 46 -10.020 -6.780 -4.022 1.00 1.13 H new ATOM 0 HE1 MET A 46 -6.125 -6.028 -4.671 1.00 11.32 H new ATOM 0 HE2 MET A 46 -7.510 -6.925 -5.338 1.00 11.32 H new ATOM 0 HE3 MET A 46 -7.597 -5.156 -5.165 1.00 11.32 H new ATOM 761 N GLN A 47 -12.506 -6.470 -4.771 1.00 55.32 N ATOM 762 CA GLN A 47 -13.157 -7.487 -5.611 1.00 20.31 C ATOM 763 C GLN A 47 -14.317 -6.884 -6.415 1.00 13.00 C ATOM 764 O GLN A 47 -14.358 -6.976 -7.644 1.00 42.13 O ATOM 765 CB GLN A 47 -13.704 -8.627 -4.741 1.00 33.23 C ATOM 766 CG GLN A 47 -14.351 -9.764 -5.532 1.00 5.45 C ATOM 767 CD GLN A 47 -13.356 -10.810 -5.998 1.00 11.53 C ATOM 768 OE1 GLN A 47 -12.331 -11.042 -5.361 1.00 40.23 O ATOM 769 NE2 GLN A 47 -13.652 -11.463 -7.103 1.00 44.33 N ATOM 0 H GLN A 47 -12.494 -6.692 -3.776 1.00 55.32 H new ATOM 0 HA GLN A 47 -12.405 -7.871 -6.301 1.00 20.31 H new ATOM 0 HB2 GLN A 47 -12.890 -9.034 -4.141 1.00 33.23 H new ATOM 0 HB3 GLN A 47 -14.438 -8.219 -4.047 1.00 33.23 H new ATOM 0 HG2 GLN A 47 -15.109 -10.243 -4.912 1.00 5.45 H new ATOM 0 HG3 GLN A 47 -14.864 -9.348 -6.399 1.00 5.45 H new ATOM 0 HE21 GLN A 47 -14.511 -11.247 -7.609 1.00 44.33 H new ATOM 0 HE22 GLN A 47 -13.022 -12.185 -7.453 1.00 44.33 H new ATOM 778 N LYS A 48 -15.247 -6.249 -5.702 1.00 1.24 N ATOM 779 CA LYS A 48 -16.470 -5.715 -6.310 1.00 54.34 C ATOM 780 C LYS A 48 -16.186 -4.571 -7.299 1.00 42.23 C ATOM 781 O LYS A 48 -16.937 -4.370 -8.253 1.00 44.33 O ATOM 782 CB LYS A 48 -17.432 -5.228 -5.217 1.00 71.12 C ATOM 783 CG LYS A 48 -17.891 -6.326 -4.263 1.00 53.12 C ATOM 784 CD LYS A 48 -18.732 -5.766 -3.117 1.00 24.12 C ATOM 785 CE LYS A 48 -19.144 -6.854 -2.130 1.00 60.35 C ATOM 786 NZ LYS A 48 -20.064 -7.851 -2.743 1.00 2.03 N ATOM 0 H LYS A 48 -15.178 -6.090 -4.697 1.00 1.24 H new ATOM 0 HA LYS A 48 -16.927 -6.528 -6.874 1.00 54.34 H new ATOM 0 HB2 LYS A 48 -16.944 -4.441 -4.642 1.00 71.12 H new ATOM 0 HB3 LYS A 48 -18.307 -4.782 -5.689 1.00 71.12 H new ATOM 0 HG2 LYS A 48 -18.473 -7.066 -4.813 1.00 53.12 H new ATOM 0 HG3 LYS A 48 -17.021 -6.842 -3.857 1.00 53.12 H new ATOM 0 HD2 LYS A 48 -18.165 -4.996 -2.593 1.00 24.12 H new ATOM 0 HD3 LYS A 48 -19.623 -5.286 -3.521 1.00 24.12 H new ATOM 0 HE2 LYS A 48 -18.254 -7.363 -1.761 1.00 60.35 H new ATOM 0 HE3 LYS A 48 -19.630 -6.396 -1.269 1.00 60.35 H new ATOM 0 HZ1 LYS A 48 -20.397 -8.511 -2.012 1.00 2.03 H new ATOM 0 HZ2 LYS A 48 -20.879 -7.359 -3.163 1.00 2.03 H new ATOM 0 HZ3 LYS A 48 -19.560 -8.380 -3.483 1.00 2.03 H new ATOM 800 N ARG A 49 -15.108 -3.820 -7.071 1.00 63.21 N ATOM 801 CA ARG A 49 -14.766 -2.696 -7.956 1.00 32.31 C ATOM 802 C ARG A 49 -13.988 -3.158 -9.205 1.00 40.32 C ATOM 803 O ARG A 49 -13.553 -2.335 -10.011 1.00 63.30 O ATOM 804 CB ARG A 49 -13.957 -1.631 -7.198 1.00 3.45 C ATOM 805 CG ARG A 49 -12.505 -2.014 -6.935 1.00 54.30 C ATOM 806 CD ARG A 49 -11.724 -0.867 -6.299 1.00 2.14 C ATOM 807 NE ARG A 49 -11.858 0.380 -7.057 1.00 11.25 N ATOM 808 CZ ARG A 49 -11.093 0.733 -8.060 1.00 61.10 C ATOM 809 NH1 ARG A 49 -10.148 -0.047 -8.482 1.00 2.52 N ATOM 810 NH2 ARG A 49 -11.279 1.872 -8.642 1.00 3.34 N ATOM 0 H ARG A 49 -14.462 -3.963 -6.294 1.00 63.21 H new ATOM 0 HA ARG A 49 -15.706 -2.259 -8.292 1.00 32.31 H new ATOM 0 HB2 ARG A 49 -13.978 -0.702 -7.768 1.00 3.45 H new ATOM 0 HB3 ARG A 49 -14.446 -1.431 -6.245 1.00 3.45 H new ATOM 0 HG2 ARG A 49 -12.471 -2.884 -6.280 1.00 54.30 H new ATOM 0 HG3 ARG A 49 -12.029 -2.302 -7.872 1.00 54.30 H new ATOM 0 HD2 ARG A 49 -12.077 -0.710 -5.280 1.00 2.14 H new ATOM 0 HD3 ARG A 49 -10.671 -1.139 -6.233 1.00 2.14 H new ATOM 0 HE ARG A 49 -12.603 1.021 -6.783 1.00 11.25 H new ATOM 0 HH11 ARG A 49 -9.992 -0.949 -8.032 1.00 2.52 H new ATOM 0 HH12 ARG A 49 -9.560 0.241 -9.264 1.00 2.52 H new ATOM 0 HH21 ARG A 49 -12.020 2.494 -8.320 1.00 3.34 H new ATOM 0 HH22 ARG A 49 -10.684 2.149 -9.423 1.00 3.34 H new ATOM 824 N GLY A 50 -13.798 -4.472 -9.352 1.00 73.52 N ATOM 825 CA GLY A 50 -13.165 -5.012 -10.556 1.00 14.14 C ATOM 826 C GLY A 50 -11.666 -5.285 -10.416 1.00 54.54 C ATOM 827 O GLY A 50 -10.930 -5.243 -11.405 1.00 62.20 O ATOM 0 H GLY A 50 -14.070 -5.173 -8.662 1.00 73.52 H new ATOM 0 HA2 GLY A 50 -13.667 -5.940 -10.830 1.00 14.14 H new ATOM 0 HA3 GLY A 50 -13.319 -4.312 -11.377 1.00 14.14 H new ATOM 831 N THR A 51 -11.203 -5.564 -9.197 1.00 2.12 N ATOM 832 CA THR A 51 -9.795 -5.942 -8.973 1.00 73.12 C ATOM 833 C THR A 51 -9.646 -6.908 -7.783 1.00 61.51 C ATOM 834 O THR A 51 -9.418 -6.492 -6.652 1.00 21.12 O ATOM 835 CB THR A 51 -8.874 -4.704 -8.770 1.00 73.24 C ATOM 836 OG1 THR A 51 -7.554 -5.114 -8.375 1.00 33.23 O ATOM 837 CG2 THR A 51 -9.441 -3.736 -7.737 1.00 12.33 C ATOM 0 H THR A 51 -11.772 -5.538 -8.351 1.00 2.12 H new ATOM 0 HA THR A 51 -9.474 -6.454 -9.880 1.00 73.12 H new ATOM 0 HB THR A 51 -8.821 -4.185 -9.727 1.00 73.24 H new ATOM 0 HG1 THR A 51 -6.988 -4.323 -8.253 1.00 33.23 H new ATOM 0 HG21 THR A 51 -8.767 -2.886 -7.626 1.00 12.33 H new ATOM 0 HG22 THR A 51 -10.418 -3.383 -8.067 1.00 12.33 H new ATOM 0 HG23 THR A 51 -9.543 -4.245 -6.779 1.00 12.33 H new ATOM 845 N PRO A 52 -9.825 -8.220 -8.025 1.00 64.04 N ATOM 846 CA PRO A 52 -9.627 -9.256 -6.992 1.00 15.12 C ATOM 847 C PRO A 52 -8.145 -9.543 -6.683 1.00 71.43 C ATOM 848 O PRO A 52 -7.238 -8.988 -7.310 1.00 11.12 O ATOM 849 CB PRO A 52 -10.284 -10.492 -7.623 1.00 64.45 C ATOM 850 CG PRO A 52 -10.130 -10.284 -9.090 1.00 71.14 C ATOM 851 CD PRO A 52 -10.277 -8.801 -9.305 1.00 42.02 C ATOM 0 HA PRO A 52 -10.048 -8.951 -6.034 1.00 15.12 H new ATOM 0 HB2 PRO A 52 -9.796 -11.411 -7.298 1.00 64.45 H new ATOM 0 HB3 PRO A 52 -11.334 -10.572 -7.341 1.00 64.45 H new ATOM 0 HG2 PRO A 52 -9.158 -10.636 -9.436 1.00 71.14 H new ATOM 0 HG3 PRO A 52 -10.886 -10.838 -9.646 1.00 71.14 H new ATOM 0 HD2 PRO A 52 -9.668 -8.454 -10.140 1.00 42.02 H new ATOM 0 HD3 PRO A 52 -11.309 -8.528 -9.528 1.00 42.02 H new ATOM 859 N VAL A 53 -7.914 -10.420 -5.704 1.00 22.14 N ATOM 860 CA VAL A 53 -6.557 -10.854 -5.346 1.00 73.55 C ATOM 861 C VAL A 53 -6.256 -12.236 -5.947 1.00 4.02 C ATOM 862 O VAL A 53 -6.595 -13.269 -5.367 1.00 33.04 O ATOM 863 CB VAL A 53 -6.365 -10.907 -3.806 1.00 71.33 C ATOM 864 CG1 VAL A 53 -4.930 -11.296 -3.446 1.00 54.42 C ATOM 865 CG2 VAL A 53 -6.744 -9.571 -3.171 1.00 22.23 C ATOM 0 H VAL A 53 -8.650 -10.846 -5.142 1.00 22.14 H new ATOM 0 HA VAL A 53 -5.863 -10.121 -5.756 1.00 73.55 H new ATOM 0 HB VAL A 53 -7.028 -11.674 -3.407 1.00 71.33 H new ATOM 0 HG11 VAL A 53 -4.822 -11.326 -2.362 1.00 54.42 H new ATOM 0 HG12 VAL A 53 -4.705 -12.279 -3.860 1.00 54.42 H new ATOM 0 HG13 VAL A 53 -4.239 -10.561 -3.859 1.00 54.42 H new ATOM 0 HG21 VAL A 53 -6.603 -9.628 -2.092 1.00 22.23 H new ATOM 0 HG22 VAL A 53 -6.112 -8.782 -3.579 1.00 22.23 H new ATOM 0 HG23 VAL A 53 -7.788 -9.348 -3.389 1.00 22.23 H new ATOM 875 N ASN A 54 -5.651 -12.250 -7.130 1.00 74.20 N ATOM 876 CA ASN A 54 -5.347 -13.503 -7.836 1.00 55.10 C ATOM 877 C ASN A 54 -4.111 -14.207 -7.243 1.00 32.03 C ATOM 878 O ASN A 54 -4.153 -15.396 -6.922 1.00 74.35 O ATOM 879 CB ASN A 54 -5.143 -13.221 -9.332 1.00 13.11 C ATOM 880 CG ASN A 54 -6.334 -12.500 -9.947 1.00 0.42 C ATOM 881 OD1 ASN A 54 -7.035 -11.749 -9.279 1.00 71.12 O ATOM 882 ND2 ASN A 54 -6.580 -12.727 -11.221 1.00 35.31 N ATOM 0 H ASN A 54 -5.358 -11.408 -7.626 1.00 74.20 H new ATOM 0 HA ASN A 54 -6.194 -14.177 -7.709 1.00 55.10 H new ATOM 0 HB2 ASN A 54 -4.245 -12.618 -9.467 1.00 13.11 H new ATOM 0 HB3 ASN A 54 -4.978 -14.161 -9.858 1.00 13.11 H new ATOM 0 HD21 ASN A 54 -7.371 -12.272 -11.676 1.00 35.31 H new ATOM 0 HD22 ASN A 54 -5.979 -13.357 -11.752 1.00 35.31 H new ATOM 889 N ARG A 55 -3.012 -13.467 -7.101 1.00 10.35 N ATOM 890 CA ARG A 55 -1.791 -13.996 -6.476 1.00 73.15 C ATOM 891 C ARG A 55 -1.094 -12.915 -5.636 1.00 71.43 C ATOM 892 O ARG A 55 -1.088 -11.738 -5.996 1.00 52.13 O ATOM 893 CB ARG A 55 -0.813 -14.563 -7.527 1.00 43.40 C ATOM 894 CG ARG A 55 -0.468 -13.603 -8.667 1.00 64.10 C ATOM 895 CD ARG A 55 -1.518 -13.632 -9.775 1.00 74.33 C ATOM 896 NE ARG A 55 -1.241 -12.660 -10.826 1.00 33.42 N ATOM 897 CZ ARG A 55 -0.421 -12.860 -11.824 1.00 35.41 C ATOM 898 NH1 ARG A 55 0.257 -13.960 -11.918 1.00 5.33 N ATOM 899 NH2 ARG A 55 -0.279 -11.948 -12.727 1.00 35.34 N ATOM 0 H ARG A 55 -2.938 -12.498 -7.409 1.00 10.35 H new ATOM 0 HA ARG A 55 -2.092 -14.813 -5.820 1.00 73.15 H new ATOM 0 HB2 ARG A 55 0.109 -14.854 -7.024 1.00 43.40 H new ATOM 0 HB3 ARG A 55 -1.244 -15.469 -7.952 1.00 43.40 H new ATOM 0 HG2 ARG A 55 -0.383 -12.590 -8.275 1.00 64.10 H new ATOM 0 HG3 ARG A 55 0.505 -13.867 -9.082 1.00 64.10 H new ATOM 0 HD2 ARG A 55 -1.558 -14.631 -10.209 1.00 74.33 H new ATOM 0 HD3 ARG A 55 -2.500 -13.431 -9.347 1.00 74.33 H new ATOM 0 HE ARG A 55 -1.721 -11.761 -10.779 1.00 33.42 H new ATOM 0 HH11 ARG A 55 0.155 -14.684 -11.207 1.00 5.33 H new ATOM 0 HH12 ARG A 55 0.893 -14.102 -12.703 1.00 5.33 H new ATOM 0 HH21 ARG A 55 -0.805 -11.077 -12.659 1.00 35.34 H new ATOM 0 HH22 ARG A 55 0.360 -12.099 -13.508 1.00 35.34 H new ATOM 913 N ILE A 56 -0.505 -13.328 -4.516 1.00 14.14 N ATOM 914 CA ILE A 56 0.121 -12.397 -3.571 1.00 44.42 C ATOM 915 C ILE A 56 1.651 -12.348 -3.757 1.00 45.21 C ATOM 916 O ILE A 56 2.299 -13.386 -3.898 1.00 24.35 O ATOM 917 CB ILE A 56 -0.216 -12.799 -2.111 1.00 74.31 C ATOM 918 CG1 ILE A 56 -1.741 -12.938 -1.946 1.00 74.00 C ATOM 919 CG2 ILE A 56 0.346 -11.779 -1.117 1.00 64.21 C ATOM 920 CD1 ILE A 56 -2.168 -13.456 -0.591 1.00 31.34 C ATOM 0 H ILE A 56 -0.446 -14.307 -4.237 1.00 14.14 H new ATOM 0 HA ILE A 56 -0.280 -11.404 -3.774 1.00 44.42 H new ATOM 0 HB ILE A 56 0.251 -13.760 -1.898 1.00 74.31 H new ATOM 0 HG12 ILE A 56 -2.205 -11.966 -2.115 1.00 74.00 H new ATOM 0 HG13 ILE A 56 -2.120 -13.610 -2.716 1.00 74.00 H new ATOM 0 HG21 ILE A 56 0.096 -12.085 -0.101 1.00 64.21 H new ATOM 0 HG22 ILE A 56 1.430 -11.726 -1.223 1.00 64.21 H new ATOM 0 HG23 ILE A 56 -0.086 -10.799 -1.318 1.00 64.21 H new ATOM 0 HD11 ILE A 56 -3.255 -13.526 -0.554 1.00 31.34 H new ATOM 0 HD12 ILE A 56 -1.735 -14.443 -0.426 1.00 31.34 H new ATOM 0 HD13 ILE A 56 -1.822 -12.774 0.185 1.00 31.34 H new ATOM 932 N PRO A 57 2.246 -11.135 -3.766 1.00 15.32 N ATOM 933 CA PRO A 57 3.701 -10.962 -3.949 1.00 43.40 C ATOM 934 C PRO A 57 4.538 -11.573 -2.806 1.00 31.11 C ATOM 935 O PRO A 57 4.290 -11.304 -1.627 1.00 60.53 O ATOM 936 CB PRO A 57 3.890 -9.431 -3.985 1.00 22.01 C ATOM 937 CG PRO A 57 2.521 -8.858 -4.191 1.00 72.54 C ATOM 938 CD PRO A 57 1.555 -9.845 -3.605 1.00 13.44 C ATOM 0 HA PRO A 57 4.043 -11.474 -4.848 1.00 43.40 H new ATOM 0 HB2 PRO A 57 4.330 -9.069 -3.056 1.00 22.01 H new ATOM 0 HB3 PRO A 57 4.562 -9.138 -4.792 1.00 22.01 H new ATOM 0 HG2 PRO A 57 2.429 -7.888 -3.703 1.00 72.54 H new ATOM 0 HG3 PRO A 57 2.321 -8.702 -5.251 1.00 72.54 H new ATOM 0 HD2 PRO A 57 1.346 -9.629 -2.557 1.00 13.44 H new ATOM 0 HD3 PRO A 57 0.600 -9.833 -4.130 1.00 13.44 H new ATOM 946 N ILE A 58 5.530 -12.391 -3.164 1.00 70.40 N ATOM 947 CA ILE A 58 6.451 -12.978 -2.181 1.00 35.43 C ATOM 948 C ILE A 58 7.806 -12.243 -2.200 1.00 64.45 C ATOM 949 O ILE A 58 8.588 -12.378 -3.143 1.00 44.31 O ATOM 950 CB ILE A 58 6.679 -14.490 -2.452 1.00 61.43 C ATOM 951 CG1 ILE A 58 5.337 -15.248 -2.468 1.00 65.04 C ATOM 952 CG2 ILE A 58 7.626 -15.091 -1.409 1.00 74.24 C ATOM 953 CD1 ILE A 58 4.560 -15.159 -1.168 1.00 62.53 C ATOM 0 H ILE A 58 5.719 -12.664 -4.129 1.00 70.40 H new ATOM 0 HA ILE A 58 5.993 -12.866 -1.198 1.00 35.43 H new ATOM 0 HB ILE A 58 7.142 -14.594 -3.433 1.00 61.43 H new ATOM 0 HG12 ILE A 58 4.719 -14.855 -3.276 1.00 65.04 H new ATOM 0 HG13 ILE A 58 5.527 -16.297 -2.694 1.00 65.04 H new ATOM 0 HG21 ILE A 58 7.772 -16.151 -1.618 1.00 74.24 H new ATOM 0 HG22 ILE A 58 8.587 -14.577 -1.451 1.00 74.24 H new ATOM 0 HG23 ILE A 58 7.195 -14.973 -0.415 1.00 74.24 H new ATOM 0 HD11 ILE A 58 3.629 -15.718 -1.262 1.00 62.53 H new ATOM 0 HD12 ILE A 58 5.156 -15.580 -0.358 1.00 62.53 H new ATOM 0 HD13 ILE A 58 4.336 -14.115 -0.949 1.00 62.53 H new ATOM 965 N MET A 59 8.069 -11.465 -1.155 1.00 63.35 N ATOM 966 CA MET A 59 9.286 -10.652 -1.064 1.00 32.02 C ATOM 967 C MET A 59 10.335 -11.297 -0.135 1.00 51.30 C ATOM 968 O MET A 59 10.137 -11.372 1.077 1.00 53.23 O ATOM 969 CB MET A 59 8.929 -9.249 -0.551 1.00 45.15 C ATOM 970 CG MET A 59 10.122 -8.305 -0.476 1.00 73.04 C ATOM 971 SD MET A 59 10.864 -7.995 -2.091 1.00 72.44 S ATOM 972 CE MET A 59 9.563 -7.061 -2.894 1.00 54.44 C ATOM 0 H MET A 59 7.450 -11.377 -0.349 1.00 63.35 H new ATOM 0 HA MET A 59 9.722 -10.585 -2.061 1.00 32.02 H new ATOM 0 HB2 MET A 59 8.173 -8.814 -1.204 1.00 45.15 H new ATOM 0 HB3 MET A 59 8.483 -9.336 0.440 1.00 45.15 H new ATOM 0 HG2 MET A 59 9.805 -7.358 -0.038 1.00 73.04 H new ATOM 0 HG3 MET A 59 10.874 -8.728 0.190 1.00 73.04 H new ATOM 0 HE1 MET A 59 9.966 -6.558 -3.773 1.00 54.44 H new ATOM 0 HE2 MET A 59 8.763 -7.737 -3.197 1.00 54.44 H new ATOM 0 HE3 MET A 59 9.167 -6.318 -2.201 1.00 54.44 H new ATOM 982 N ALA A 60 11.445 -11.762 -0.719 1.00 11.04 N ATOM 983 CA ALA A 60 12.575 -12.324 0.044 1.00 11.23 C ATOM 984 C ALA A 60 12.143 -13.446 1.010 1.00 74.43 C ATOM 985 O ALA A 60 12.411 -13.382 2.212 1.00 23.22 O ATOM 986 CB ALA A 60 13.305 -11.213 0.798 1.00 71.42 C ATOM 0 H ALA A 60 11.589 -11.761 -1.729 1.00 11.04 H new ATOM 0 HA ALA A 60 13.255 -12.779 -0.676 1.00 11.23 H new ATOM 0 HB1 ALA A 60 14.137 -11.639 1.358 1.00 71.42 H new ATOM 0 HB2 ALA A 60 13.684 -10.479 0.087 1.00 71.42 H new ATOM 0 HB3 ALA A 60 12.615 -10.727 1.488 1.00 71.42 H new ATOM 992 N LYS A 61 11.474 -14.468 0.471 1.00 34.44 N ATOM 993 CA LYS A 61 11.014 -15.629 1.263 1.00 44.23 C ATOM 994 C LYS A 61 9.959 -15.241 2.318 1.00 31.02 C ATOM 995 O LYS A 61 9.651 -16.019 3.222 1.00 45.41 O ATOM 996 CB LYS A 61 12.210 -16.340 1.927 1.00 54.14 C ATOM 997 CG LYS A 61 13.206 -16.927 0.925 1.00 71.55 C ATOM 998 CD LYS A 61 12.539 -17.955 0.012 1.00 61.53 C ATOM 999 CE LYS A 61 13.465 -18.433 -1.102 1.00 74.11 C ATOM 1000 NZ LYS A 61 12.769 -19.364 -2.032 1.00 21.35 N ATOM 0 H LYS A 61 11.233 -14.522 -0.519 1.00 34.44 H new ATOM 0 HA LYS A 61 10.532 -16.318 0.569 1.00 44.23 H new ATOM 0 HB2 LYS A 61 12.731 -15.632 2.572 1.00 54.14 H new ATOM 0 HB3 LYS A 61 11.837 -17.140 2.567 1.00 54.14 H new ATOM 0 HG2 LYS A 61 13.633 -16.126 0.322 1.00 71.55 H new ATOM 0 HG3 LYS A 61 14.031 -17.396 1.462 1.00 71.55 H new ATOM 0 HD2 LYS A 61 12.219 -18.811 0.606 1.00 61.53 H new ATOM 0 HD3 LYS A 61 11.642 -17.518 -0.427 1.00 61.53 H new ATOM 0 HE2 LYS A 61 13.839 -17.574 -1.659 1.00 74.11 H new ATOM 0 HE3 LYS A 61 14.331 -18.932 -0.667 1.00 74.11 H new ATOM 0 HZ1 LYS A 61 13.329 -19.469 -2.902 1.00 21.35 H new ATOM 0 HZ2 LYS A 61 12.660 -20.293 -1.576 1.00 21.35 H new ATOM 0 HZ3 LYS A 61 11.831 -18.982 -2.268 1.00 21.35 H new ATOM 1014 N GLN A 62 9.407 -14.039 2.187 1.00 32.43 N ATOM 1015 CA GLN A 62 8.307 -13.571 3.038 1.00 10.14 C ATOM 1016 C GLN A 62 7.133 -13.086 2.175 1.00 41.23 C ATOM 1017 O GLN A 62 7.332 -12.542 1.092 1.00 54.20 O ATOM 1018 CB GLN A 62 8.788 -12.430 3.961 1.00 55.34 C ATOM 1019 CG GLN A 62 7.657 -11.591 4.571 1.00 54.41 C ATOM 1020 CD GLN A 62 6.806 -12.339 5.593 1.00 52.24 C ATOM 1021 OE1 GLN A 62 6.724 -13.568 5.591 1.00 41.03 O ATOM 1022 NE2 GLN A 62 6.106 -11.597 6.425 1.00 63.41 N ATOM 0 H GLN A 62 9.706 -13.358 1.489 1.00 32.43 H new ATOM 0 HA GLN A 62 7.971 -14.405 3.655 1.00 10.14 H new ATOM 0 HB2 GLN A 62 9.383 -12.858 4.768 1.00 55.34 H new ATOM 0 HB3 GLN A 62 9.447 -11.773 3.393 1.00 55.34 H new ATOM 0 HG2 GLN A 62 8.089 -10.711 5.048 1.00 54.41 H new ATOM 0 HG3 GLN A 62 7.011 -11.234 3.769 1.00 54.41 H new ATOM 0 HE21 GLN A 62 6.196 -10.581 6.402 1.00 63.41 H new ATOM 0 HE22 GLN A 62 5.473 -12.038 7.093 1.00 63.41 H new ATOM 1031 N VAL A 63 5.912 -13.298 2.649 1.00 3.12 N ATOM 1032 CA VAL A 63 4.730 -12.759 1.977 1.00 12.14 C ATOM 1033 C VAL A 63 4.637 -11.239 2.179 1.00 64.14 C ATOM 1034 O VAL A 63 4.995 -10.724 3.236 1.00 30.03 O ATOM 1035 CB VAL A 63 3.432 -13.421 2.504 1.00 1.11 C ATOM 1036 CG1 VAL A 63 3.277 -13.203 4.009 1.00 50.20 C ATOM 1037 CG2 VAL A 63 2.214 -12.894 1.750 1.00 5.44 C ATOM 0 H VAL A 63 5.711 -13.836 3.492 1.00 3.12 H new ATOM 0 HA VAL A 63 4.833 -12.980 0.915 1.00 12.14 H new ATOM 0 HB VAL A 63 3.504 -14.494 2.328 1.00 1.11 H new ATOM 0 HG11 VAL A 63 2.358 -13.678 4.353 1.00 50.20 H new ATOM 0 HG12 VAL A 63 4.128 -13.641 4.530 1.00 50.20 H new ATOM 0 HG13 VAL A 63 3.234 -12.134 4.219 1.00 50.20 H new ATOM 0 HG21 VAL A 63 1.313 -13.371 2.135 1.00 5.44 H new ATOM 0 HG22 VAL A 63 2.140 -11.815 1.887 1.00 5.44 H new ATOM 0 HG23 VAL A 63 2.318 -13.119 0.688 1.00 5.44 H new ATOM 1047 N LEU A 64 4.167 -10.517 1.170 1.00 54.12 N ATOM 1048 CA LEU A 64 3.981 -9.076 1.310 1.00 12.45 C ATOM 1049 C LEU A 64 2.828 -8.780 2.281 1.00 50.44 C ATOM 1050 O LEU A 64 1.653 -8.835 1.906 1.00 42.45 O ATOM 1051 CB LEU A 64 3.718 -8.427 -0.058 1.00 51.01 C ATOM 1052 CG LEU A 64 3.557 -6.895 -0.041 1.00 61.31 C ATOM 1053 CD1 LEU A 64 4.790 -6.226 0.566 1.00 24.40 C ATOM 1054 CD2 LEU A 64 3.291 -6.366 -1.451 1.00 64.04 C ATOM 0 H LEU A 64 3.911 -10.897 0.259 1.00 54.12 H new ATOM 0 HA LEU A 64 4.896 -8.647 1.718 1.00 12.45 H new ATOM 0 HB2 LEU A 64 4.540 -8.682 -0.726 1.00 51.01 H new ATOM 0 HB3 LEU A 64 2.815 -8.866 -0.482 1.00 51.01 H new ATOM 0 HG LEU A 64 2.698 -6.649 0.583 1.00 61.31 H new ATOM 0 HD11 LEU A 64 4.654 -5.145 0.567 1.00 24.40 H new ATOM 0 HD12 LEU A 64 4.927 -6.576 1.589 1.00 24.40 H new ATOM 0 HD13 LEU A 64 5.670 -6.480 -0.025 1.00 24.40 H new ATOM 0 HD21 LEU A 64 3.180 -5.282 -1.418 1.00 64.04 H new ATOM 0 HD22 LEU A 64 4.127 -6.626 -2.101 1.00 64.04 H new ATOM 0 HD23 LEU A 64 2.376 -6.813 -1.841 1.00 64.04 H new ATOM 1066 N ASP A 65 3.175 -8.520 3.545 1.00 65.32 N ATOM 1067 CA ASP A 65 2.189 -8.200 4.581 1.00 35.03 C ATOM 1068 C ASP A 65 1.296 -7.011 4.166 1.00 61.11 C ATOM 1069 O ASP A 65 1.567 -5.870 4.529 1.00 42.44 O ATOM 1070 CB ASP A 65 2.899 -7.870 5.904 1.00 33.31 C ATOM 1071 CG ASP A 65 3.883 -8.945 6.347 1.00 21.24 C ATOM 1072 OD1 ASP A 65 4.997 -8.995 5.791 1.00 54.41 O ATOM 1073 OD2 ASP A 65 3.553 -9.721 7.270 1.00 74.31 O ATOM 0 H ASP A 65 4.139 -8.525 3.877 1.00 65.32 H new ATOM 0 HA ASP A 65 1.554 -9.076 4.713 1.00 35.03 H new ATOM 0 HB2 ASP A 65 3.430 -6.924 5.797 1.00 33.31 H new ATOM 0 HB3 ASP A 65 2.151 -7.729 6.684 1.00 33.31 H new ATOM 1078 N LEU A 66 0.237 -7.285 3.398 1.00 24.54 N ATOM 1079 CA LEU A 66 -0.676 -6.234 2.909 1.00 55.33 C ATOM 1080 C LEU A 66 -1.218 -5.358 4.054 1.00 0.35 C ATOM 1081 O LEU A 66 -1.269 -4.132 3.940 1.00 54.45 O ATOM 1082 CB LEU A 66 -1.844 -6.858 2.129 1.00 62.13 C ATOM 1083 CG LEU A 66 -1.451 -7.652 0.868 1.00 12.53 C ATOM 1084 CD1 LEU A 66 -2.691 -8.225 0.185 1.00 52.53 C ATOM 1085 CD2 LEU A 66 -0.653 -6.778 -0.103 1.00 4.31 C ATOM 0 H LEU A 66 -0.014 -8.227 3.098 1.00 24.54 H new ATOM 0 HA LEU A 66 -0.099 -5.591 2.245 1.00 55.33 H new ATOM 0 HB2 LEU A 66 -2.392 -7.521 2.798 1.00 62.13 H new ATOM 0 HB3 LEU A 66 -2.529 -6.062 1.837 1.00 62.13 H new ATOM 0 HG LEU A 66 -0.814 -8.482 1.175 1.00 12.53 H new ATOM 0 HD11 LEU A 66 -2.393 -8.782 -0.703 1.00 52.53 H new ATOM 0 HD12 LEU A 66 -3.211 -8.891 0.874 1.00 52.53 H new ATOM 0 HD13 LEU A 66 -3.356 -7.411 -0.104 1.00 52.53 H new ATOM 0 HD21 LEU A 66 -0.388 -7.362 -0.984 1.00 4.31 H new ATOM 0 HD22 LEU A 66 -1.258 -5.922 -0.403 1.00 4.31 H new ATOM 0 HD23 LEU A 66 0.256 -6.427 0.386 1.00 4.31 H new ATOM 1097 N PHE A 67 -1.614 -5.995 5.156 1.00 21.35 N ATOM 1098 CA PHE A 67 -2.111 -5.275 6.335 1.00 14.14 C ATOM 1099 C PHE A 67 -1.066 -4.278 6.869 1.00 3.21 C ATOM 1100 O PHE A 67 -1.366 -3.102 7.098 1.00 21.45 O ATOM 1101 CB PHE A 67 -2.496 -6.277 7.437 1.00 12.33 C ATOM 1102 CG PHE A 67 -2.949 -5.631 8.725 1.00 74.23 C ATOM 1103 CD1 PHE A 67 -4.223 -5.095 8.840 1.00 21.42 C ATOM 1104 CD2 PHE A 67 -2.100 -5.562 9.823 1.00 4.44 C ATOM 1105 CE1 PHE A 67 -4.640 -4.503 10.016 1.00 71.41 C ATOM 1106 CE2 PHE A 67 -2.513 -4.971 11.002 1.00 71.42 C ATOM 1107 CZ PHE A 67 -3.785 -4.441 11.098 1.00 32.52 C ATOM 0 H PHE A 67 -1.601 -7.010 5.260 1.00 21.35 H new ATOM 0 HA PHE A 67 -2.992 -4.707 6.036 1.00 14.14 H new ATOM 0 HB2 PHE A 67 -3.293 -6.921 7.066 1.00 12.33 H new ATOM 0 HB3 PHE A 67 -1.640 -6.918 7.646 1.00 12.33 H new ATOM 0 HD1 PHE A 67 -4.898 -5.141 7.998 1.00 21.42 H new ATOM 0 HD2 PHE A 67 -1.105 -5.976 9.754 1.00 4.44 H new ATOM 0 HE1 PHE A 67 -5.635 -4.089 10.089 1.00 71.41 H new ATOM 0 HE2 PHE A 67 -1.842 -4.924 11.847 1.00 71.42 H new ATOM 0 HZ PHE A 67 -4.110 -3.979 12.018 1.00 32.52 H new ATOM 1117 N MET A 68 0.165 -4.754 7.052 1.00 40.10 N ATOM 1118 CA MET A 68 1.242 -3.921 7.599 1.00 32.25 C ATOM 1119 C MET A 68 1.671 -2.847 6.583 1.00 73.11 C ATOM 1120 O MET A 68 1.932 -1.703 6.947 1.00 34.51 O ATOM 1121 CB MET A 68 2.445 -4.794 7.990 1.00 11.41 C ATOM 1122 CG MET A 68 2.080 -6.002 8.851 1.00 60.22 C ATOM 1123 SD MET A 68 1.201 -5.560 10.363 1.00 35.43 S ATOM 1124 CE MET A 68 2.432 -4.564 11.208 1.00 61.02 C ATOM 0 H MET A 68 0.444 -5.710 6.831 1.00 40.10 H new ATOM 0 HA MET A 68 0.867 -3.419 8.491 1.00 32.25 H new ATOM 0 HB2 MET A 68 2.938 -5.143 7.083 1.00 11.41 H new ATOM 0 HB3 MET A 68 3.167 -4.180 8.530 1.00 11.41 H new ATOM 0 HG2 MET A 68 1.462 -6.683 8.266 1.00 60.22 H new ATOM 0 HG3 MET A 68 2.990 -6.542 9.112 1.00 60.22 H new ATOM 0 HE1 MET A 68 2.120 -4.398 12.239 1.00 61.02 H new ATOM 0 HE2 MET A 68 3.390 -5.084 11.198 1.00 61.02 H new ATOM 0 HE3 MET A 68 2.534 -3.605 10.701 1.00 61.02 H new ATOM 1134 N LEU A 69 1.726 -3.233 5.307 1.00 75.22 N ATOM 1135 CA LEU A 69 2.067 -2.308 4.218 1.00 24.22 C ATOM 1136 C LEU A 69 1.150 -1.075 4.244 1.00 23.10 C ATOM 1137 O LEU A 69 1.611 0.062 4.141 1.00 15.11 O ATOM 1138 CB LEU A 69 1.948 -3.028 2.861 1.00 72.25 C ATOM 1139 CG LEU A 69 2.406 -2.223 1.632 1.00 14.41 C ATOM 1140 CD1 LEU A 69 3.901 -1.932 1.705 1.00 54.14 C ATOM 1141 CD2 LEU A 69 2.062 -2.966 0.341 1.00 23.43 C ATOM 0 H LEU A 69 1.538 -4.187 4.998 1.00 75.22 H new ATOM 0 HA LEU A 69 3.095 -1.974 4.357 1.00 24.22 H new ATOM 0 HB2 LEU A 69 2.531 -3.948 2.907 1.00 72.25 H new ATOM 0 HB3 LEU A 69 0.907 -3.317 2.715 1.00 72.25 H new ATOM 0 HG LEU A 69 1.874 -1.272 1.630 1.00 14.41 H new ATOM 0 HD11 LEU A 69 4.204 -1.362 0.827 1.00 54.14 H new ATOM 0 HD12 LEU A 69 4.116 -1.354 2.604 1.00 54.14 H new ATOM 0 HD13 LEU A 69 4.453 -2.871 1.736 1.00 54.14 H new ATOM 0 HD21 LEU A 69 2.394 -2.380 -0.516 1.00 23.43 H new ATOM 0 HD22 LEU A 69 2.562 -3.934 0.334 1.00 23.43 H new ATOM 0 HD23 LEU A 69 0.984 -3.114 0.283 1.00 23.43 H new ATOM 1153 N TYR A 70 -0.151 -1.314 4.402 1.00 0.13 N ATOM 1154 CA TYR A 70 -1.133 -0.232 4.515 1.00 25.31 C ATOM 1155 C TYR A 70 -0.805 0.693 5.696 1.00 30.51 C ATOM 1156 O TYR A 70 -0.733 1.913 5.544 1.00 21.50 O ATOM 1157 CB TYR A 70 -2.541 -0.820 4.681 1.00 21.21 C ATOM 1158 CG TYR A 70 -3.649 0.222 4.749 1.00 72.12 C ATOM 1159 CD1 TYR A 70 -4.181 0.782 3.589 1.00 2.31 C ATOM 1160 CD2 TYR A 70 -4.173 0.635 5.973 1.00 40.33 C ATOM 1161 CE1 TYR A 70 -5.197 1.721 3.650 1.00 52.42 C ATOM 1162 CE2 TYR A 70 -5.186 1.574 6.038 1.00 43.20 C ATOM 1163 CZ TYR A 70 -5.696 2.112 4.875 1.00 55.11 C ATOM 1164 OH TYR A 70 -6.711 3.042 4.940 1.00 2.32 O ATOM 0 H TYR A 70 -0.552 -2.250 4.455 1.00 0.13 H new ATOM 0 HA TYR A 70 -1.095 0.361 3.601 1.00 25.31 H new ATOM 0 HB2 TYR A 70 -2.742 -1.493 3.848 1.00 21.21 H new ATOM 0 HB3 TYR A 70 -2.567 -1.421 5.590 1.00 21.21 H new ATOM 0 HD1 TYR A 70 -3.795 0.479 2.627 1.00 2.31 H new ATOM 0 HD2 TYR A 70 -3.781 0.214 6.887 1.00 40.33 H new ATOM 0 HE1 TYR A 70 -5.597 2.146 2.741 1.00 52.42 H new ATOM 0 HE2 TYR A 70 -5.576 1.885 6.996 1.00 43.20 H new ATOM 0 HH TYR A 70 -6.946 3.205 5.877 1.00 2.32 H new ATOM 1174 N VAL A 71 -0.604 0.104 6.875 1.00 23.22 N ATOM 1175 CA VAL A 71 -0.281 0.877 8.082 1.00 64.14 C ATOM 1176 C VAL A 71 0.945 1.787 7.870 1.00 25.13 C ATOM 1177 O VAL A 71 0.870 3.003 8.062 1.00 63.31 O ATOM 1178 CB VAL A 71 -0.022 -0.054 9.296 1.00 3.52 C ATOM 1179 CG1 VAL A 71 0.329 0.752 10.551 1.00 60.32 C ATOM 1180 CG2 VAL A 71 -1.230 -0.957 9.554 1.00 73.44 C ATOM 0 H VAL A 71 -0.658 -0.904 7.023 1.00 23.22 H new ATOM 0 HA VAL A 71 -1.149 1.503 8.288 1.00 64.14 H new ATOM 0 HB VAL A 71 0.834 -0.684 9.054 1.00 3.52 H new ATOM 0 HG11 VAL A 71 0.505 0.071 11.384 1.00 60.32 H new ATOM 0 HG12 VAL A 71 1.229 1.339 10.367 1.00 60.32 H new ATOM 0 HG13 VAL A 71 -0.496 1.420 10.797 1.00 60.32 H new ATOM 0 HG21 VAL A 71 -1.027 -1.601 10.409 1.00 73.44 H new ATOM 0 HG22 VAL A 71 -2.106 -0.342 9.763 1.00 73.44 H new ATOM 0 HG23 VAL A 71 -1.419 -1.571 8.674 1.00 73.44 H new ATOM 1190 N LEU A 72 2.061 1.190 7.450 1.00 21.15 N ATOM 1191 CA LEU A 72 3.320 1.927 7.251 1.00 41.22 C ATOM 1192 C LEU A 72 3.183 3.067 6.219 1.00 35.23 C ATOM 1193 O LEU A 72 3.629 4.188 6.462 1.00 44.12 O ATOM 1194 CB LEU A 72 4.448 0.965 6.828 1.00 64.14 C ATOM 1195 CG LEU A 72 5.155 0.210 7.971 1.00 73.32 C ATOM 1196 CD1 LEU A 72 5.806 1.193 8.939 1.00 11.11 C ATOM 1197 CD2 LEU A 72 4.188 -0.711 8.710 1.00 12.25 C ATOM 0 H LEU A 72 2.124 0.194 7.239 1.00 21.15 H new ATOM 0 HA LEU A 72 3.571 2.384 8.208 1.00 41.22 H new ATOM 0 HB2 LEU A 72 4.033 0.232 6.137 1.00 64.14 H new ATOM 0 HB3 LEU A 72 5.197 1.534 6.277 1.00 64.14 H new ATOM 0 HG LEU A 72 5.934 -0.411 7.529 1.00 73.32 H new ATOM 0 HD11 LEU A 72 6.300 0.642 9.739 1.00 11.11 H new ATOM 0 HD12 LEU A 72 6.541 1.796 8.406 1.00 11.11 H new ATOM 0 HD13 LEU A 72 5.042 1.844 9.365 1.00 11.11 H new ATOM 0 HD21 LEU A 72 4.718 -1.229 9.510 1.00 12.25 H new ATOM 0 HD22 LEU A 72 3.376 -0.121 9.135 1.00 12.25 H new ATOM 0 HD23 LEU A 72 3.778 -1.443 8.014 1.00 12.25 H new ATOM 1209 N VAL A 73 2.571 2.782 5.074 1.00 43.25 N ATOM 1210 CA VAL A 73 2.430 3.789 4.009 1.00 64.44 C ATOM 1211 C VAL A 73 1.487 4.937 4.420 1.00 43.54 C ATOM 1212 O VAL A 73 1.825 6.117 4.272 1.00 45.35 O ATOM 1213 CB VAL A 73 1.930 3.147 2.690 1.00 52.43 C ATOM 1214 CG1 VAL A 73 1.706 4.207 1.611 1.00 60.51 C ATOM 1215 CG2 VAL A 73 2.915 2.081 2.204 1.00 74.54 C ATOM 0 H VAL A 73 2.165 1.872 4.853 1.00 43.25 H new ATOM 0 HA VAL A 73 3.423 4.207 3.845 1.00 64.44 H new ATOM 0 HB VAL A 73 0.972 2.667 2.891 1.00 52.43 H new ATOM 0 HG11 VAL A 73 1.356 3.727 0.697 1.00 60.51 H new ATOM 0 HG12 VAL A 73 0.960 4.923 1.954 1.00 60.51 H new ATOM 0 HG13 VAL A 73 2.643 4.727 1.412 1.00 60.51 H new ATOM 0 HG21 VAL A 73 2.547 1.641 1.277 1.00 74.54 H new ATOM 0 HG22 VAL A 73 3.888 2.539 2.027 1.00 74.54 H new ATOM 0 HG23 VAL A 73 3.012 1.303 2.961 1.00 74.54 H new ATOM 1225 N THR A 74 0.314 4.592 4.951 1.00 1.31 N ATOM 1226 CA THR A 74 -0.681 5.601 5.358 1.00 3.24 C ATOM 1227 C THR A 74 -0.150 6.547 6.449 1.00 43.24 C ATOM 1228 O THR A 74 -0.349 7.764 6.371 1.00 74.44 O ATOM 1229 CB THR A 74 -1.999 4.956 5.854 1.00 71.14 C ATOM 1230 OG1 THR A 74 -1.744 4.085 6.969 1.00 63.41 O ATOM 1231 CG2 THR A 74 -2.682 4.179 4.732 1.00 43.42 C ATOM 0 H THR A 74 0.024 3.627 5.111 1.00 1.31 H new ATOM 0 HA THR A 74 -0.883 6.182 4.458 1.00 3.24 H new ATOM 0 HB THR A 74 -2.665 5.757 6.175 1.00 71.14 H new ATOM 0 HG1 THR A 74 -1.342 3.251 6.647 1.00 63.41 H new ATOM 0 HG21 THR A 74 -3.605 3.736 5.106 1.00 43.42 H new ATOM 0 HG22 THR A 74 -2.912 4.855 3.909 1.00 43.42 H new ATOM 0 HG23 THR A 74 -2.018 3.390 4.379 1.00 43.42 H new ATOM 1239 N GLU A 75 0.533 5.997 7.461 1.00 1.33 N ATOM 1240 CA GLU A 75 1.087 6.821 8.548 1.00 70.12 C ATOM 1241 C GLU A 75 2.151 7.798 8.017 1.00 74.25 C ATOM 1242 O GLU A 75 2.366 8.876 8.580 1.00 51.10 O ATOM 1243 CB GLU A 75 1.700 5.942 9.654 1.00 33.53 C ATOM 1244 CG GLU A 75 3.008 5.260 9.259 1.00 64.41 C ATOM 1245 CD GLU A 75 3.751 4.634 10.432 1.00 34.42 C ATOM 1246 OE1 GLU A 75 3.351 4.849 11.595 1.00 24.41 O ATOM 1247 OE2 GLU A 75 4.766 3.954 10.193 1.00 22.24 O ATOM 0 H GLU A 75 0.715 4.997 7.552 1.00 1.33 H new ATOM 0 HA GLU A 75 0.262 7.394 8.971 1.00 70.12 H new ATOM 0 HB2 GLU A 75 1.876 6.558 10.536 1.00 33.53 H new ATOM 0 HB3 GLU A 75 0.976 5.178 9.938 1.00 33.53 H new ATOM 0 HG2 GLU A 75 2.796 4.487 8.521 1.00 64.41 H new ATOM 0 HG3 GLU A 75 3.658 5.991 8.777 1.00 64.41 H new ATOM 1254 N LYS A 76 2.818 7.412 6.930 1.00 1.34 N ATOM 1255 CA LYS A 76 3.847 8.255 6.311 1.00 35.15 C ATOM 1256 C LYS A 76 3.237 9.366 5.440 1.00 74.44 C ATOM 1257 O LYS A 76 3.949 10.260 4.982 1.00 41.11 O ATOM 1258 CB LYS A 76 4.808 7.390 5.486 1.00 64.44 C ATOM 1259 CG LYS A 76 5.647 6.428 6.331 1.00 41.43 C ATOM 1260 CD LYS A 76 6.592 7.173 7.270 1.00 41.05 C ATOM 1261 CE LYS A 76 7.397 6.221 8.149 1.00 34.12 C ATOM 1262 NZ LYS A 76 6.577 5.602 9.229 1.00 40.43 N ATOM 0 H LYS A 76 2.666 6.521 6.458 1.00 1.34 H new ATOM 0 HA LYS A 76 4.401 8.744 7.113 1.00 35.15 H new ATOM 0 HB2 LYS A 76 4.233 6.815 4.760 1.00 64.44 H new ATOM 0 HB3 LYS A 76 5.476 8.041 4.921 1.00 64.44 H new ATOM 0 HG2 LYS A 76 4.987 5.786 6.914 1.00 41.43 H new ATOM 0 HG3 LYS A 76 6.225 5.778 5.675 1.00 41.43 H new ATOM 0 HD2 LYS A 76 7.274 7.788 6.684 1.00 41.05 H new ATOM 0 HD3 LYS A 76 6.016 7.849 7.902 1.00 41.05 H new ATOM 0 HE2 LYS A 76 7.825 5.434 7.528 1.00 34.12 H new ATOM 0 HE3 LYS A 76 8.230 6.763 8.597 1.00 34.12 H new ATOM 0 HZ1 LYS A 76 7.202 5.116 9.904 1.00 40.43 H new ATOM 0 HZ2 LYS A 76 6.040 6.342 9.725 1.00 40.43 H new ATOM 0 HZ3 LYS A 76 5.916 4.915 8.813 1.00 40.43 H new ATOM 1276 N GLY A 77 1.922 9.310 5.218 1.00 52.32 N ATOM 1277 CA GLY A 77 1.238 10.365 4.467 1.00 4.31 C ATOM 1278 C GLY A 77 0.442 9.853 3.266 1.00 44.44 C ATOM 1279 O GLY A 77 -0.188 10.641 2.557 1.00 62.40 O ATOM 0 H GLY A 77 1.316 8.556 5.542 1.00 52.32 H new ATOM 0 HA2 GLY A 77 0.563 10.896 5.138 1.00 4.31 H new ATOM 0 HA3 GLY A 77 1.976 11.088 4.120 1.00 4.31 H new ATOM 1283 N GLY A 78 0.467 8.542 3.032 1.00 22.34 N ATOM 1284 CA GLY A 78 -0.249 7.966 1.894 1.00 72.14 C ATOM 1285 C GLY A 78 0.685 7.570 0.753 1.00 24.40 C ATOM 1286 O GLY A 78 1.844 7.987 0.722 1.00 72.51 O ATOM 0 H GLY A 78 0.969 7.865 3.607 1.00 22.34 H new ATOM 0 HA2 GLY A 78 -0.804 7.089 2.225 1.00 72.14 H new ATOM 0 HA3 GLY A 78 -0.980 8.686 1.527 1.00 72.14 H new ATOM 1290 N LEU A 79 0.175 6.775 -0.193 1.00 51.31 N ATOM 1291 CA LEU A 79 0.990 6.250 -1.305 1.00 70.01 C ATOM 1292 C LEU A 79 1.866 7.330 -1.966 1.00 64.00 C ATOM 1293 O LEU A 79 3.096 7.225 -1.970 1.00 31.33 O ATOM 1294 CB LEU A 79 0.089 5.599 -2.366 1.00 31.34 C ATOM 1295 CG LEU A 79 0.820 5.050 -3.609 1.00 43.53 C ATOM 1296 CD1 LEU A 79 1.867 4.008 -3.214 1.00 52.43 C ATOM 1297 CD2 LEU A 79 -0.178 4.462 -4.605 1.00 51.04 C ATOM 0 H LEU A 79 -0.800 6.478 -0.215 1.00 51.31 H new ATOM 0 HA LEU A 79 1.660 5.505 -0.875 1.00 70.01 H new ATOM 0 HB2 LEU A 79 -0.461 4.782 -1.899 1.00 31.34 H new ATOM 0 HB3 LEU A 79 -0.647 6.333 -2.693 1.00 31.34 H new ATOM 0 HG LEU A 79 1.337 5.880 -4.090 1.00 43.53 H new ATOM 0 HD11 LEU A 79 2.367 3.637 -4.109 1.00 52.43 H new ATOM 0 HD12 LEU A 79 2.602 4.464 -2.550 1.00 52.43 H new ATOM 0 HD13 LEU A 79 1.380 3.179 -2.701 1.00 52.43 H new ATOM 0 HD21 LEU A 79 0.357 4.080 -5.474 1.00 51.04 H new ATOM 0 HD22 LEU A 79 -0.728 3.649 -4.132 1.00 51.04 H new ATOM 0 HD23 LEU A 79 -0.877 5.237 -4.921 1.00 51.04 H new ATOM 1309 N VAL A 80 1.234 8.360 -2.521 1.00 52.02 N ATOM 1310 CA VAL A 80 1.959 9.402 -3.260 1.00 1.43 C ATOM 1311 C VAL A 80 3.023 10.096 -2.399 1.00 23.42 C ATOM 1312 O VAL A 80 4.170 10.239 -2.823 1.00 45.41 O ATOM 1313 CB VAL A 80 0.994 10.462 -3.830 1.00 53.31 C ATOM 1314 CG1 VAL A 80 1.755 11.493 -4.661 1.00 11.33 C ATOM 1315 CG2 VAL A 80 -0.104 9.796 -4.656 1.00 4.22 C ATOM 0 H VAL A 80 0.225 8.500 -2.476 1.00 52.02 H new ATOM 0 HA VAL A 80 2.463 8.893 -4.082 1.00 1.43 H new ATOM 0 HB VAL A 80 0.523 10.984 -2.997 1.00 53.31 H new ATOM 0 HG11 VAL A 80 1.056 12.231 -5.054 1.00 11.33 H new ATOM 0 HG12 VAL A 80 2.495 11.991 -4.034 1.00 11.33 H new ATOM 0 HG13 VAL A 80 2.258 10.993 -5.489 1.00 11.33 H new ATOM 0 HG21 VAL A 80 -0.776 10.558 -5.050 1.00 4.22 H new ATOM 0 HG22 VAL A 80 0.346 9.246 -5.483 1.00 4.22 H new ATOM 0 HG23 VAL A 80 -0.667 9.108 -4.025 1.00 4.22 H new ATOM 1325 N GLU A 81 2.646 10.524 -1.193 1.00 50.14 N ATOM 1326 CA GLU A 81 3.597 11.161 -0.273 1.00 44.33 C ATOM 1327 C GLU A 81 4.847 10.287 -0.084 1.00 34.11 C ATOM 1328 O GLU A 81 5.969 10.777 -0.144 1.00 52.24 O ATOM 1329 CB GLU A 81 2.938 11.436 1.086 1.00 23.23 C ATOM 1330 CG GLU A 81 3.892 11.990 2.150 1.00 72.42 C ATOM 1331 CD GLU A 81 4.383 13.409 1.863 1.00 34.43 C ATOM 1332 OE1 GLU A 81 5.215 13.595 0.947 1.00 54.11 O ATOM 1333 OE2 GLU A 81 3.964 14.341 2.577 1.00 32.43 O ATOM 0 H GLU A 81 1.696 10.443 -0.830 1.00 50.14 H new ATOM 0 HA GLU A 81 3.901 12.111 -0.713 1.00 44.33 H new ATOM 0 HB2 GLU A 81 2.121 12.143 0.944 1.00 23.23 H new ATOM 0 HB3 GLU A 81 2.497 10.511 1.457 1.00 23.23 H new ATOM 0 HG2 GLU A 81 3.388 11.979 3.117 1.00 72.42 H new ATOM 0 HG3 GLU A 81 4.754 11.327 2.232 1.00 72.42 H new ATOM 1340 N VAL A 82 4.645 8.987 0.122 1.00 74.52 N ATOM 1341 CA VAL A 82 5.758 8.041 0.262 1.00 43.30 C ATOM 1342 C VAL A 82 6.625 7.998 -1.015 1.00 33.12 C ATOM 1343 O VAL A 82 7.860 7.967 -0.945 1.00 1.14 O ATOM 1344 CB VAL A 82 5.237 6.616 0.598 1.00 12.21 C ATOM 1345 CG1 VAL A 82 6.385 5.613 0.676 1.00 34.22 C ATOM 1346 CG2 VAL A 82 4.447 6.632 1.908 1.00 53.51 C ATOM 0 H VAL A 82 3.721 8.561 0.196 1.00 74.52 H new ATOM 0 HA VAL A 82 6.379 8.391 1.086 1.00 43.30 H new ATOM 0 HB VAL A 82 4.572 6.301 -0.207 1.00 12.21 H new ATOM 0 HG11 VAL A 82 5.990 4.625 0.913 1.00 34.22 H new ATOM 0 HG12 VAL A 82 6.902 5.577 -0.283 1.00 34.22 H new ATOM 0 HG13 VAL A 82 7.084 5.920 1.454 1.00 34.22 H new ATOM 0 HG21 VAL A 82 4.089 5.627 2.129 1.00 53.51 H new ATOM 0 HG22 VAL A 82 5.092 6.974 2.718 1.00 53.51 H new ATOM 0 HG23 VAL A 82 3.597 7.307 1.812 1.00 53.51 H new ATOM 1356 N ILE A 83 5.970 8.020 -2.179 1.00 75.02 N ATOM 1357 CA ILE A 83 6.673 8.027 -3.472 1.00 24.52 C ATOM 1358 C ILE A 83 7.464 9.337 -3.670 1.00 12.45 C ATOM 1359 O ILE A 83 8.513 9.352 -4.319 1.00 30.53 O ATOM 1360 CB ILE A 83 5.682 7.846 -4.656 1.00 34.24 C ATOM 1361 CG1 ILE A 83 4.830 6.582 -4.466 1.00 43.02 C ATOM 1362 CG2 ILE A 83 6.435 7.780 -5.986 1.00 52.14 C ATOM 1363 CD1 ILE A 83 3.749 6.413 -5.516 1.00 64.03 C ATOM 0 H ILE A 83 4.953 8.033 -2.256 1.00 75.02 H new ATOM 0 HA ILE A 83 7.368 7.187 -3.459 1.00 24.52 H new ATOM 0 HB ILE A 83 5.019 8.711 -4.674 1.00 34.24 H new ATOM 0 HG12 ILE A 83 5.482 5.709 -4.484 1.00 43.02 H new ATOM 0 HG13 ILE A 83 4.365 6.612 -3.480 1.00 43.02 H new ATOM 0 HG21 ILE A 83 5.723 7.653 -6.801 1.00 52.14 H new ATOM 0 HG22 ILE A 83 6.995 8.704 -6.133 1.00 52.14 H new ATOM 0 HG23 ILE A 83 7.125 6.936 -5.972 1.00 52.14 H new ATOM 0 HD11 ILE A 83 3.188 5.500 -5.317 1.00 64.03 H new ATOM 0 HD12 ILE A 83 3.073 7.268 -5.483 1.00 64.03 H new ATOM 0 HD13 ILE A 83 4.207 6.350 -6.503 1.00 64.03 H new ATOM 1375 N ASN A 84 6.949 10.434 -3.111 1.00 43.53 N ATOM 1376 CA ASN A 84 7.627 11.735 -3.169 1.00 11.52 C ATOM 1377 C ASN A 84 8.748 11.835 -2.118 1.00 15.14 C ATOM 1378 O ASN A 84 9.810 12.401 -2.377 1.00 54.35 O ATOM 1379 CB ASN A 84 6.619 12.872 -2.956 1.00 72.15 C ATOM 1380 CG ASN A 84 5.614 12.984 -4.087 1.00 44.10 C ATOM 1381 OD1 ASN A 84 5.917 12.687 -5.236 1.00 41.21 O ATOM 1382 ND2 ASN A 84 4.415 13.429 -3.774 1.00 0.22 N ATOM 0 H ASN A 84 6.060 10.449 -2.610 1.00 43.53 H new ATOM 0 HA ASN A 84 8.076 11.827 -4.158 1.00 11.52 H new ATOM 0 HB2 ASN A 84 6.088 12.710 -2.018 1.00 72.15 H new ATOM 0 HB3 ASN A 84 7.157 13.815 -2.859 1.00 72.15 H new ATOM 0 HD21 ASN A 84 3.705 13.535 -4.499 1.00 0.22 H new ATOM 0 HD22 ASN A 84 4.196 13.667 -2.807 1.00 0.22 H new ATOM 1389 N LYS A 85 8.497 11.288 -0.931 1.00 33.22 N ATOM 1390 CA LYS A 85 9.476 11.308 0.162 1.00 4.02 C ATOM 1391 C LYS A 85 10.637 10.338 -0.101 1.00 52.45 C ATOM 1392 O LYS A 85 11.696 10.447 0.521 1.00 51.33 O ATOM 1393 CB LYS A 85 8.792 10.926 1.487 1.00 64.54 C ATOM 1394 CG LYS A 85 7.792 11.944 2.047 1.00 61.30 C ATOM 1395 CD LYS A 85 8.470 13.130 2.737 1.00 62.33 C ATOM 1396 CE LYS A 85 8.855 14.234 1.758 1.00 11.22 C ATOM 1397 NZ LYS A 85 7.660 14.863 1.132 1.00 13.24 N ATOM 0 H LYS A 85 7.620 10.822 -0.697 1.00 33.22 H new ATOM 0 HA LYS A 85 9.878 12.319 0.225 1.00 4.02 H new ATOM 0 HB2 LYS A 85 8.273 9.978 1.345 1.00 64.54 H new ATOM 0 HB3 LYS A 85 9.565 10.757 2.236 1.00 64.54 H new ATOM 0 HG2 LYS A 85 7.164 12.313 1.236 1.00 61.30 H new ATOM 0 HG3 LYS A 85 7.133 11.445 2.758 1.00 61.30 H new ATOM 0 HD2 LYS A 85 7.800 13.538 3.494 1.00 62.33 H new ATOM 0 HD3 LYS A 85 9.363 12.782 3.256 1.00 62.33 H new ATOM 0 HE2 LYS A 85 9.435 14.996 2.280 1.00 11.22 H new ATOM 0 HE3 LYS A 85 9.497 13.821 0.980 1.00 11.22 H new ATOM 0 HZ1 LYS A 85 7.798 14.922 0.103 1.00 13.24 H new ATOM 0 HZ2 LYS A 85 6.818 14.288 1.336 1.00 13.24 H new ATOM 0 HZ3 LYS A 85 7.528 15.819 1.519 1.00 13.24 H new ATOM 1411 N LYS A 86 10.429 9.393 -1.022 1.00 54.15 N ATOM 1412 CA LYS A 86 11.451 8.397 -1.381 1.00 0.11 C ATOM 1413 C LYS A 86 11.875 7.549 -0.166 1.00 10.31 C ATOM 1414 O LYS A 86 12.905 6.872 -0.201 1.00 20.15 O ATOM 1415 CB LYS A 86 12.692 9.088 -1.984 1.00 41.14 C ATOM 1416 CG LYS A 86 12.385 10.062 -3.118 1.00 64.45 C ATOM 1417 CD LYS A 86 11.640 9.393 -4.267 1.00 31.10 C ATOM 1418 CE LYS A 86 11.402 10.360 -5.421 1.00 21.24 C ATOM 1419 NZ LYS A 86 12.676 10.788 -6.049 1.00 0.53 N ATOM 0 H LYS A 86 9.555 9.294 -1.538 1.00 54.15 H new ATOM 0 HA LYS A 86 11.006 7.733 -2.122 1.00 0.11 H new ATOM 0 HB2 LYS A 86 13.214 9.625 -1.192 1.00 41.14 H new ATOM 0 HB3 LYS A 86 13.375 8.323 -2.354 1.00 41.14 H new ATOM 0 HG2 LYS A 86 11.788 10.889 -2.733 1.00 64.45 H new ATOM 0 HG3 LYS A 86 13.317 10.488 -3.491 1.00 64.45 H new ATOM 0 HD2 LYS A 86 12.212 8.536 -4.622 1.00 31.10 H new ATOM 0 HD3 LYS A 86 10.684 9.012 -3.908 1.00 31.10 H new ATOM 0 HE2 LYS A 86 10.769 9.884 -6.170 1.00 21.24 H new ATOM 0 HE3 LYS A 86 10.863 11.235 -5.057 1.00 21.24 H new ATOM 0 HZ1 LYS A 86 12.473 11.418 -6.851 1.00 0.53 H new ATOM 0 HZ2 LYS A 86 13.255 11.294 -5.349 1.00 0.53 H new ATOM 0 HZ3 LYS A 86 13.194 9.952 -6.388 1.00 0.53 H new ATOM 1433 N LEU A 87 11.061 7.554 0.891 1.00 2.04 N ATOM 1434 CA LEU A 87 11.449 6.936 2.170 1.00 2.41 C ATOM 1435 C LEU A 87 10.952 5.478 2.289 1.00 4.23 C ATOM 1436 O LEU A 87 10.751 4.968 3.391 1.00 32.42 O ATOM 1437 CB LEU A 87 10.943 7.808 3.347 1.00 53.02 C ATOM 1438 CG LEU A 87 9.505 7.554 3.858 1.00 31.14 C ATOM 1439 CD1 LEU A 87 9.126 8.583 4.920 1.00 4.10 C ATOM 1440 CD2 LEU A 87 8.489 7.557 2.720 1.00 10.55 C ATOM 0 H LEU A 87 10.132 7.976 0.892 1.00 2.04 H new ATOM 0 HA LEU A 87 12.537 6.890 2.208 1.00 2.41 H new ATOM 0 HB2 LEU A 87 11.627 7.671 4.185 1.00 53.02 H new ATOM 0 HB3 LEU A 87 11.013 8.853 3.046 1.00 53.02 H new ATOM 0 HG LEU A 87 9.487 6.561 4.308 1.00 31.14 H new ATOM 0 HD11 LEU A 87 8.111 8.390 5.268 1.00 4.10 H new ATOM 0 HD12 LEU A 87 9.818 8.511 5.759 1.00 4.10 H new ATOM 0 HD13 LEU A 87 9.178 9.584 4.492 1.00 4.10 H new ATOM 0 HD21 LEU A 87 7.492 7.375 3.122 1.00 10.55 H new ATOM 0 HD22 LEU A 87 8.507 8.525 2.219 1.00 10.55 H new ATOM 0 HD23 LEU A 87 8.741 6.773 2.005 1.00 10.55 H new ATOM 1452 N TRP A 88 10.804 4.794 1.148 1.00 12.11 N ATOM 1453 CA TRP A 88 10.340 3.393 1.128 1.00 43.23 C ATOM 1454 C TRP A 88 11.171 2.482 2.058 1.00 24.30 C ATOM 1455 O TRP A 88 10.710 1.411 2.457 1.00 53.02 O ATOM 1456 CB TRP A 88 10.359 2.832 -0.304 1.00 13.24 C ATOM 1457 CG TRP A 88 9.231 3.325 -1.173 1.00 23.05 C ATOM 1458 CD1 TRP A 88 9.305 4.251 -2.177 1.00 13.21 C ATOM 1459 CD2 TRP A 88 7.859 2.908 -1.116 1.00 2.41 C ATOM 1460 NE1 TRP A 88 8.070 4.421 -2.753 1.00 50.02 N ATOM 1461 CE2 TRP A 88 7.164 3.615 -2.117 1.00 40.32 C ATOM 1462 CE3 TRP A 88 7.151 2.004 -0.318 1.00 24.55 C ATOM 1463 CZ2 TRP A 88 5.801 3.447 -2.337 1.00 74.42 C ATOM 1464 CZ3 TRP A 88 5.795 1.840 -0.537 1.00 11.35 C ATOM 1465 CH2 TRP A 88 5.132 2.559 -1.541 1.00 42.20 C ATOM 0 H TRP A 88 10.997 5.183 0.225 1.00 12.11 H new ATOM 0 HA TRP A 88 9.316 3.399 1.501 1.00 43.23 H new ATOM 0 HB2 TRP A 88 11.307 3.095 -0.773 1.00 13.24 H new ATOM 0 HB3 TRP A 88 10.318 1.744 -0.257 1.00 13.24 H new ATOM 0 HD1 TRP A 88 10.203 4.772 -2.473 1.00 13.21 H new ATOM 0 HE1 TRP A 88 7.861 5.048 -3.530 1.00 50.02 H new ATOM 0 HE3 TRP A 88 7.654 1.443 0.456 1.00 24.55 H new ATOM 0 HZ2 TRP A 88 5.288 3.999 -3.111 1.00 74.42 H new ATOM 0 HZ3 TRP A 88 5.238 1.147 0.076 1.00 11.35 H new ATOM 0 HH2 TRP A 88 4.073 2.409 -1.689 1.00 42.20 H new ATOM 1476 N ARG A 89 12.393 2.912 2.394 1.00 63.55 N ATOM 1477 CA ARG A 89 13.236 2.189 3.358 1.00 51.53 C ATOM 1478 C ARG A 89 12.511 1.995 4.702 1.00 74.04 C ATOM 1479 O ARG A 89 12.680 0.977 5.371 1.00 64.42 O ATOM 1480 CB ARG A 89 14.561 2.935 3.585 1.00 55.42 C ATOM 1481 CG ARG A 89 14.393 4.335 4.178 1.00 72.23 C ATOM 1482 CD ARG A 89 15.734 4.986 4.506 1.00 61.50 C ATOM 1483 NE ARG A 89 15.567 6.287 5.155 1.00 43.31 N ATOM 1484 CZ ARG A 89 16.131 6.626 6.285 1.00 62.30 C ATOM 1485 NH1 ARG A 89 16.934 5.811 6.896 1.00 4.51 N ATOM 1486 NH2 ARG A 89 15.905 7.792 6.796 1.00 30.12 N ATOM 0 H ARG A 89 12.821 3.756 2.014 1.00 63.55 H new ATOM 0 HA ARG A 89 13.447 1.206 2.936 1.00 51.53 H new ATOM 0 HB2 ARG A 89 15.190 2.343 4.250 1.00 55.42 H new ATOM 0 HB3 ARG A 89 15.089 3.015 2.635 1.00 55.42 H new ATOM 0 HG2 ARG A 89 13.849 4.963 3.473 1.00 72.23 H new ATOM 0 HG3 ARG A 89 13.789 4.274 5.083 1.00 72.23 H new ATOM 0 HD2 ARG A 89 16.307 4.327 5.158 1.00 61.50 H new ATOM 0 HD3 ARG A 89 16.311 5.109 3.590 1.00 61.50 H new ATOM 0 HE ARG A 89 14.971 6.975 4.695 1.00 43.31 H new ATOM 0 HH11 ARG A 89 17.132 4.894 6.496 1.00 4.51 H new ATOM 0 HH12 ARG A 89 17.368 6.087 7.777 1.00 4.51 H new ATOM 0 HH21 ARG A 89 15.287 8.447 6.318 1.00 30.12 H new ATOM 0 HH22 ARG A 89 16.345 8.056 7.677 1.00 30.12 H new ATOM 1500 N GLU A 90 11.712 2.987 5.096 1.00 41.01 N ATOM 1501 CA GLU A 90 10.897 2.903 6.315 1.00 65.54 C ATOM 1502 C GLU A 90 9.856 1.783 6.201 1.00 34.21 C ATOM 1503 O GLU A 90 9.571 1.075 7.168 1.00 12.14 O ATOM 1504 CB GLU A 90 10.187 4.243 6.568 1.00 62.42 C ATOM 1505 CG GLU A 90 11.125 5.388 6.929 1.00 40.04 C ATOM 1506 CD GLU A 90 11.794 5.190 8.281 1.00 42.33 C ATOM 1507 OE1 GLU A 90 11.146 5.469 9.315 1.00 12.04 O ATOM 1508 OE2 GLU A 90 12.961 4.746 8.316 1.00 21.11 O ATOM 0 H GLU A 90 11.610 3.865 4.587 1.00 41.01 H new ATOM 0 HA GLU A 90 11.559 2.679 7.151 1.00 65.54 H new ATOM 0 HB2 GLU A 90 9.624 4.517 5.676 1.00 62.42 H new ATOM 0 HB3 GLU A 90 9.464 4.112 7.374 1.00 62.42 H new ATOM 0 HG2 GLU A 90 11.891 5.483 6.159 1.00 40.04 H new ATOM 0 HG3 GLU A 90 10.565 6.323 6.938 1.00 40.04 H new ATOM 1515 N ILE A 91 9.305 1.626 5.003 1.00 72.53 N ATOM 1516 CA ILE A 91 8.272 0.623 4.752 1.00 64.11 C ATOM 1517 C ILE A 91 8.853 -0.799 4.839 1.00 73.32 C ATOM 1518 O ILE A 91 8.361 -1.633 5.599 1.00 53.25 O ATOM 1519 CB ILE A 91 7.617 0.832 3.364 1.00 21.41 C ATOM 1520 CG1 ILE A 91 7.211 2.306 3.176 1.00 22.32 C ATOM 1521 CG2 ILE A 91 6.410 -0.088 3.196 1.00 20.13 C ATOM 1522 CD1 ILE A 91 6.245 2.829 4.221 1.00 63.23 C ATOM 0 H ILE A 91 9.556 2.182 4.186 1.00 72.53 H new ATOM 0 HA ILE A 91 7.509 0.742 5.522 1.00 64.11 H new ATOM 0 HB ILE A 91 8.347 0.578 2.596 1.00 21.41 H new ATOM 0 HG12 ILE A 91 8.110 2.922 3.190 1.00 22.32 H new ATOM 0 HG13 ILE A 91 6.759 2.423 2.191 1.00 22.32 H new ATOM 0 HG21 ILE A 91 5.963 0.073 2.215 1.00 20.13 H new ATOM 0 HG22 ILE A 91 6.729 -1.127 3.283 1.00 20.13 H new ATOM 0 HG23 ILE A 91 5.675 0.132 3.970 1.00 20.13 H new ATOM 0 HD11 ILE A 91 6.013 3.873 4.012 1.00 63.23 H new ATOM 0 HD12 ILE A 91 5.327 2.241 4.195 1.00 63.23 H new ATOM 0 HD13 ILE A 91 6.699 2.749 5.209 1.00 63.23 H new ATOM 1534 N THR A 92 9.918 -1.059 4.075 1.00 22.13 N ATOM 1535 CA THR A 92 10.610 -2.359 4.122 1.00 70.45 C ATOM 1536 C THR A 92 11.134 -2.659 5.530 1.00 72.22 C ATOM 1537 O THR A 92 10.996 -3.777 6.030 1.00 3.04 O ATOM 1538 CB THR A 92 11.802 -2.423 3.134 1.00 1.02 C ATOM 1539 OG1 THR A 92 12.641 -1.272 3.305 1.00 23.03 O ATOM 1540 CG2 THR A 92 11.326 -2.512 1.686 1.00 14.45 C ATOM 0 H THR A 92 10.322 -0.392 3.417 1.00 22.13 H new ATOM 0 HA THR A 92 9.869 -3.104 3.834 1.00 70.45 H new ATOM 0 HB THR A 92 12.372 -3.326 3.354 1.00 1.02 H new ATOM 0 HG1 THR A 92 13.393 -1.320 2.679 1.00 23.03 H new ATOM 0 HG21 THR A 92 12.189 -2.555 1.021 1.00 14.45 H new ATOM 0 HG22 THR A 92 10.722 -3.410 1.556 1.00 14.45 H new ATOM 0 HG23 THR A 92 10.726 -1.634 1.446 1.00 14.45 H new ATOM 1548 N LYS A 93 11.732 -1.653 6.169 1.00 25.32 N ATOM 1549 CA LYS A 93 12.254 -1.799 7.534 1.00 21.34 C ATOM 1550 C LYS A 93 11.139 -2.229 8.506 1.00 62.32 C ATOM 1551 O LYS A 93 11.347 -3.077 9.376 1.00 73.05 O ATOM 1552 CB LYS A 93 12.881 -0.476 8.002 1.00 14.14 C ATOM 1553 CG LYS A 93 13.900 -0.622 9.128 1.00 15.14 C ATOM 1554 CD LYS A 93 15.141 -1.379 8.661 1.00 61.34 C ATOM 1555 CE LYS A 93 16.235 -1.398 9.723 1.00 70.34 C ATOM 1556 NZ LYS A 93 15.796 -2.088 10.965 1.00 24.51 N ATOM 0 H LYS A 93 11.868 -0.726 5.765 1.00 25.32 H new ATOM 0 HA LYS A 93 13.019 -2.575 7.527 1.00 21.34 H new ATOM 0 HB2 LYS A 93 13.365 0.003 7.151 1.00 14.14 H new ATOM 0 HB3 LYS A 93 12.085 0.191 8.333 1.00 14.14 H new ATOM 0 HG2 LYS A 93 14.189 0.365 9.490 1.00 15.14 H new ATOM 0 HG3 LYS A 93 13.445 -1.149 9.967 1.00 15.14 H new ATOM 0 HD2 LYS A 93 14.866 -2.402 8.406 1.00 61.34 H new ATOM 0 HD3 LYS A 93 15.527 -0.917 7.752 1.00 61.34 H new ATOM 0 HE2 LYS A 93 17.118 -1.897 9.324 1.00 70.34 H new ATOM 0 HE3 LYS A 93 16.527 -0.375 9.961 1.00 70.34 H new ATOM 0 HZ1 LYS A 93 16.595 -2.153 11.627 1.00 24.51 H new ATOM 0 HZ2 LYS A 93 15.023 -1.550 11.406 1.00 24.51 H new ATOM 0 HZ3 LYS A 93 15.462 -3.045 10.731 1.00 24.51 H new ATOM 1570 N GLY A 94 9.953 -1.643 8.338 1.00 52.33 N ATOM 1571 CA GLY A 94 8.802 -2.002 9.162 1.00 4.20 C ATOM 1572 C GLY A 94 8.267 -3.402 8.867 1.00 34.34 C ATOM 1573 O GLY A 94 7.666 -4.042 9.734 1.00 53.13 O ATOM 0 H GLY A 94 9.766 -0.921 7.642 1.00 52.33 H new ATOM 0 HA2 GLY A 94 9.082 -1.941 10.214 1.00 4.20 H new ATOM 0 HA3 GLY A 94 8.007 -1.274 9.001 1.00 4.20 H new ATOM 1577 N LEU A 95 8.493 -3.883 7.644 1.00 65.32 N ATOM 1578 CA LEU A 95 8.048 -5.222 7.237 1.00 54.22 C ATOM 1579 C LEU A 95 9.130 -6.282 7.517 1.00 5.33 C ATOM 1580 O LEU A 95 9.011 -7.428 7.083 1.00 12.12 O ATOM 1581 CB LEU A 95 7.687 -5.230 5.741 1.00 23.14 C ATOM 1582 CG LEU A 95 6.632 -4.201 5.303 1.00 34.21 C ATOM 1583 CD1 LEU A 95 6.353 -4.311 3.808 1.00 74.20 C ATOM 1584 CD2 LEU A 95 5.347 -4.359 6.109 1.00 64.23 C ATOM 0 H LEU A 95 8.983 -3.366 6.914 1.00 65.32 H new ATOM 0 HA LEU A 95 7.165 -5.472 7.825 1.00 54.22 H new ATOM 0 HB2 LEU A 95 8.597 -5.057 5.166 1.00 23.14 H new ATOM 0 HB3 LEU A 95 7.328 -6.225 5.478 1.00 23.14 H new ATOM 0 HG LEU A 95 7.032 -3.206 5.500 1.00 34.21 H new ATOM 0 HD11 LEU A 95 5.603 -3.573 3.522 1.00 74.20 H new ATOM 0 HD12 LEU A 95 7.272 -4.128 3.252 1.00 74.20 H new ATOM 0 HD13 LEU A 95 5.983 -5.311 3.579 1.00 74.20 H new ATOM 0 HD21 LEU A 95 4.617 -3.619 5.779 1.00 64.23 H new ATOM 0 HD22 LEU A 95 4.943 -5.360 5.957 1.00 64.23 H new ATOM 0 HD23 LEU A 95 5.561 -4.211 7.168 1.00 64.23 H new ATOM 1596 N ASN A 96 10.187 -5.887 8.241 1.00 53.52 N ATOM 1597 CA ASN A 96 11.295 -6.795 8.590 1.00 44.21 C ATOM 1598 C ASN A 96 12.079 -7.233 7.331 1.00 40.54 C ATOM 1599 O ASN A 96 12.792 -8.240 7.338 1.00 45.14 O ATOM 1600 CB ASN A 96 10.750 -8.017 9.356 1.00 12.31 C ATOM 1601 CG ASN A 96 11.836 -8.900 9.955 1.00 14.50 C ATOM 1602 OD1 ASN A 96 11.678 -10.114 10.053 1.00 22.31 O ATOM 1603 ND2 ASN A 96 12.937 -8.306 10.375 1.00 11.01 N ATOM 0 H ASN A 96 10.300 -4.939 8.599 1.00 53.52 H new ATOM 0 HA ASN A 96 11.991 -6.259 9.235 1.00 44.21 H new ATOM 0 HB2 ASN A 96 10.094 -7.671 10.155 1.00 12.31 H new ATOM 0 HB3 ASN A 96 10.140 -8.616 8.680 1.00 12.31 H new ATOM 0 HD21 ASN A 96 13.686 -8.857 10.795 1.00 11.01 H new ATOM 0 HD22 ASN A 96 13.039 -7.296 10.280 1.00 11.01 H new ATOM 1610 N LEU A 97 11.963 -6.449 6.261 1.00 53.21 N ATOM 1611 CA LEU A 97 12.620 -6.764 4.986 1.00 41.11 C ATOM 1612 C LEU A 97 14.067 -6.233 4.943 1.00 11.33 C ATOM 1613 O LEU A 97 14.371 -5.170 5.493 1.00 12.32 O ATOM 1614 CB LEU A 97 11.816 -6.173 3.816 1.00 71.11 C ATOM 1615 CG LEU A 97 10.343 -6.608 3.738 1.00 62.14 C ATOM 1616 CD1 LEU A 97 9.664 -5.999 2.513 1.00 11.33 C ATOM 1617 CD2 LEU A 97 10.223 -8.131 3.726 1.00 54.42 C ATOM 0 H LEU A 97 11.419 -5.587 6.248 1.00 53.21 H new ATOM 0 HA LEU A 97 12.657 -7.850 4.895 1.00 41.11 H new ATOM 0 HB2 LEU A 97 11.852 -5.086 3.886 1.00 71.11 H new ATOM 0 HB3 LEU A 97 12.308 -6.449 2.884 1.00 71.11 H new ATOM 0 HG LEU A 97 9.833 -6.238 4.628 1.00 62.14 H new ATOM 0 HD11 LEU A 97 8.623 -6.320 2.477 1.00 11.33 H new ATOM 0 HD12 LEU A 97 9.707 -4.912 2.576 1.00 11.33 H new ATOM 0 HD13 LEU A 97 10.177 -6.331 1.610 1.00 11.33 H new ATOM 0 HD21 LEU A 97 9.171 -8.413 3.670 1.00 54.42 H new ATOM 0 HD22 LEU A 97 10.752 -8.531 2.861 1.00 54.42 H new ATOM 0 HD23 LEU A 97 10.660 -8.538 4.638 1.00 54.42 H new ATOM 1629 N PRO A 98 14.978 -6.968 4.276 1.00 34.01 N ATOM 1630 CA PRO A 98 16.381 -6.553 4.135 1.00 24.43 C ATOM 1631 C PRO A 98 16.565 -5.402 3.123 1.00 4.34 C ATOM 1632 O PRO A 98 15.958 -5.392 2.051 1.00 33.11 O ATOM 1633 CB PRO A 98 17.077 -7.832 3.649 1.00 24.10 C ATOM 1634 CG PRO A 98 16.016 -8.596 2.930 1.00 21.35 C ATOM 1635 CD PRO A 98 14.711 -8.262 3.615 1.00 45.05 C ATOM 0 HA PRO A 98 16.787 -6.160 5.067 1.00 24.43 H new ATOM 0 HB2 PRO A 98 17.913 -7.601 2.989 1.00 24.10 H new ATOM 0 HB3 PRO A 98 17.479 -8.405 4.484 1.00 24.10 H new ATOM 0 HG2 PRO A 98 15.984 -8.318 1.876 1.00 21.35 H new ATOM 0 HG3 PRO A 98 16.213 -9.667 2.971 1.00 21.35 H new ATOM 0 HD2 PRO A 98 13.893 -8.184 2.899 1.00 45.05 H new ATOM 0 HD3 PRO A 98 14.431 -9.029 4.337 1.00 45.05 H new ATOM 1643 N THR A 99 17.426 -4.443 3.465 1.00 5.33 N ATOM 1644 CA THR A 99 17.658 -3.252 2.623 1.00 40.13 C ATOM 1645 C THR A 99 18.453 -3.575 1.338 1.00 61.25 C ATOM 1646 O THR A 99 18.799 -2.680 0.566 1.00 1.21 O ATOM 1647 CB THR A 99 18.405 -2.148 3.424 1.00 45.33 C ATOM 1648 OG1 THR A 99 18.606 -0.974 2.617 1.00 33.42 O ATOM 1649 CG2 THR A 99 19.749 -2.656 3.935 1.00 20.11 C ATOM 0 H THR A 99 17.980 -4.461 4.321 1.00 5.33 H new ATOM 0 HA THR A 99 16.673 -2.893 2.325 1.00 40.13 H new ATOM 0 HB THR A 99 17.781 -1.886 4.279 1.00 45.33 H new ATOM 0 HG1 THR A 99 18.746 -1.239 1.684 1.00 33.42 H new ATOM 0 HG21 THR A 99 20.250 -1.864 4.491 1.00 20.11 H new ATOM 0 HG22 THR A 99 19.589 -3.513 4.589 1.00 20.11 H new ATOM 0 HG23 THR A 99 20.370 -2.955 3.090 1.00 20.11 H new ATOM 1657 N SER A 100 18.727 -4.857 1.103 1.00 63.42 N ATOM 1658 CA SER A 100 19.491 -5.292 -0.078 1.00 44.25 C ATOM 1659 C SER A 100 18.583 -5.912 -1.158 1.00 41.22 C ATOM 1660 O SER A 100 19.045 -6.681 -2.001 1.00 1.24 O ATOM 1661 CB SER A 100 20.572 -6.304 0.339 1.00 4.43 C ATOM 1662 OG SER A 100 21.387 -6.696 -0.760 1.00 0.25 O ATOM 0 H SER A 100 18.433 -5.619 1.714 1.00 63.42 H new ATOM 0 HA SER A 100 19.960 -4.407 -0.509 1.00 44.25 H new ATOM 0 HB2 SER A 100 21.198 -5.866 1.117 1.00 4.43 H new ATOM 0 HB3 SER A 100 20.097 -7.185 0.771 1.00 4.43 H new ATOM 0 HG SER A 100 20.832 -6.789 -1.562 1.00 0.25 H new ATOM 1668 N ILE A 101 17.292 -5.585 -1.133 1.00 10.42 N ATOM 1669 CA ILE A 101 16.354 -6.079 -2.153 1.00 45.30 C ATOM 1670 C ILE A 101 16.299 -5.138 -3.369 1.00 41.30 C ATOM 1671 O ILE A 101 15.889 -3.979 -3.257 1.00 60.04 O ATOM 1672 CB ILE A 101 14.923 -6.246 -1.582 1.00 54.31 C ATOM 1673 CG1 ILE A 101 14.923 -7.231 -0.402 1.00 4.43 C ATOM 1674 CG2 ILE A 101 13.958 -6.716 -2.675 1.00 64.32 C ATOM 1675 CD1 ILE A 101 13.570 -7.398 0.258 1.00 12.24 C ATOM 0 H ILE A 101 16.869 -4.985 -0.425 1.00 10.42 H new ATOM 0 HA ILE A 101 16.727 -7.053 -2.468 1.00 45.30 H new ATOM 0 HB ILE A 101 14.584 -5.276 -1.219 1.00 54.31 H new ATOM 0 HG12 ILE A 101 15.267 -8.204 -0.753 1.00 4.43 H new ATOM 0 HG13 ILE A 101 15.640 -6.889 0.344 1.00 4.43 H new ATOM 0 HG21 ILE A 101 12.959 -6.827 -2.255 1.00 64.32 H new ATOM 0 HG22 ILE A 101 13.933 -5.981 -3.479 1.00 64.32 H new ATOM 0 HG23 ILE A 101 14.294 -7.675 -3.070 1.00 64.32 H new ATOM 0 HD11 ILE A 101 13.652 -8.108 1.081 1.00 12.24 H new ATOM 0 HD12 ILE A 101 13.231 -6.436 0.641 1.00 12.24 H new ATOM 0 HD13 ILE A 101 12.852 -7.771 -0.473 1.00 12.24 H new ATOM 1687 N THR A 102 16.706 -5.647 -4.532 1.00 75.33 N ATOM 1688 CA THR A 102 16.699 -4.863 -5.774 1.00 30.22 C ATOM 1689 C THR A 102 15.276 -4.449 -6.184 1.00 45.12 C ATOM 1690 O THR A 102 14.393 -5.293 -6.341 1.00 23.12 O ATOM 1691 CB THR A 102 17.350 -5.649 -6.942 1.00 44.44 C ATOM 1692 OG1 THR A 102 18.713 -5.975 -6.619 1.00 34.23 O ATOM 1693 CG2 THR A 102 17.317 -4.851 -8.244 1.00 73.13 C ATOM 0 H THR A 102 17.046 -6.602 -4.643 1.00 75.33 H new ATOM 0 HA THR A 102 17.282 -3.965 -5.571 1.00 30.22 H new ATOM 0 HB THR A 102 16.773 -6.563 -7.085 1.00 44.44 H new ATOM 0 HG1 THR A 102 19.115 -6.473 -7.361 1.00 34.23 H new ATOM 0 HG21 THR A 102 17.782 -5.433 -9.040 1.00 73.13 H new ATOM 0 HG22 THR A 102 16.283 -4.633 -8.511 1.00 73.13 H new ATOM 0 HG23 THR A 102 17.863 -3.917 -8.112 1.00 73.13 H new ATOM 1701 N SER A 103 15.072 -3.139 -6.352 1.00 35.54 N ATOM 1702 CA SER A 103 13.788 -2.581 -6.813 1.00 41.53 C ATOM 1703 C SER A 103 12.633 -2.856 -5.838 1.00 52.01 C ATOM 1704 O SER A 103 11.465 -2.886 -6.238 1.00 1.14 O ATOM 1705 CB SER A 103 13.440 -3.113 -8.213 1.00 12.34 C ATOM 1706 OG SER A 103 14.404 -2.693 -9.169 1.00 55.02 O ATOM 0 H SER A 103 15.787 -2.434 -6.174 1.00 35.54 H new ATOM 0 HA SER A 103 13.916 -1.499 -6.857 1.00 41.53 H new ATOM 0 HB2 SER A 103 13.394 -4.202 -8.192 1.00 12.34 H new ATOM 0 HB3 SER A 103 12.452 -2.758 -8.506 1.00 12.34 H new ATOM 0 HG SER A 103 14.164 -3.044 -10.052 1.00 55.02 H new ATOM 1712 N ALA A 104 12.959 -3.025 -4.555 1.00 1.35 N ATOM 1713 CA ALA A 104 11.941 -3.194 -3.510 1.00 74.01 C ATOM 1714 C ALA A 104 10.913 -2.047 -3.534 1.00 14.43 C ATOM 1715 O ALA A 104 9.708 -2.282 -3.597 1.00 52.21 O ATOM 1716 CB ALA A 104 12.603 -3.276 -2.139 1.00 74.31 C ATOM 0 H ALA A 104 13.919 -3.049 -4.212 1.00 1.35 H new ATOM 0 HA ALA A 104 11.410 -4.125 -3.709 1.00 74.01 H new ATOM 0 HB1 ALA A 104 11.838 -3.401 -1.373 1.00 74.31 H new ATOM 0 HB2 ALA A 104 13.284 -4.127 -2.114 1.00 74.31 H new ATOM 0 HB3 ALA A 104 13.161 -2.359 -1.949 1.00 74.31 H new ATOM 1722 N ALA A 105 11.413 -0.809 -3.506 1.00 63.15 N ATOM 1723 CA ALA A 105 10.559 0.389 -3.544 1.00 34.13 C ATOM 1724 C ALA A 105 9.634 0.396 -4.773 1.00 72.24 C ATOM 1725 O ALA A 105 8.424 0.598 -4.652 1.00 72.01 O ATOM 1726 CB ALA A 105 11.431 1.641 -3.536 1.00 72.11 C ATOM 0 H ALA A 105 12.411 -0.606 -3.457 1.00 63.15 H new ATOM 0 HA ALA A 105 9.924 0.376 -2.658 1.00 34.13 H new ATOM 0 HB1 ALA A 105 10.796 2.527 -3.564 1.00 72.11 H new ATOM 0 HB2 ALA A 105 12.036 1.657 -2.630 1.00 72.11 H new ATOM 0 HB3 ALA A 105 12.084 1.635 -4.408 1.00 72.11 H new ATOM 1732 N PHE A 106 10.217 0.170 -5.950 1.00 64.10 N ATOM 1733 CA PHE A 106 9.464 0.125 -7.211 1.00 60.32 C ATOM 1734 C PHE A 106 8.318 -0.901 -7.144 1.00 31.45 C ATOM 1735 O PHE A 106 7.200 -0.639 -7.594 1.00 53.22 O ATOM 1736 CB PHE A 106 10.421 -0.222 -8.363 1.00 64.24 C ATOM 1737 CG PHE A 106 9.786 -0.206 -9.733 1.00 10.20 C ATOM 1738 CD1 PHE A 106 9.696 0.974 -10.456 1.00 61.35 C ATOM 1739 CD2 PHE A 106 9.288 -1.374 -10.301 1.00 4.13 C ATOM 1740 CE1 PHE A 106 9.123 0.991 -11.715 1.00 30.12 C ATOM 1741 CE2 PHE A 106 8.714 -1.360 -11.559 1.00 42.45 C ATOM 1742 CZ PHE A 106 8.631 -0.177 -12.266 1.00 40.42 C ATOM 0 H PHE A 106 11.219 0.013 -6.060 1.00 64.10 H new ATOM 0 HA PHE A 106 9.020 1.105 -7.384 1.00 60.32 H new ATOM 0 HB2 PHE A 106 11.251 0.484 -8.353 1.00 64.24 H new ATOM 0 HB3 PHE A 106 10.842 -1.211 -8.183 1.00 64.24 H new ATOM 0 HD1 PHE A 106 10.078 1.891 -10.031 1.00 61.35 H new ATOM 0 HD2 PHE A 106 9.350 -2.303 -9.753 1.00 4.13 H new ATOM 0 HE1 PHE A 106 9.060 1.917 -12.267 1.00 30.12 H new ATOM 0 HE2 PHE A 106 8.331 -2.274 -11.988 1.00 42.45 H new ATOM 0 HZ PHE A 106 8.182 -0.164 -13.248 1.00 40.42 H new ATOM 1752 N THR A 107 8.610 -2.068 -6.573 1.00 41.23 N ATOM 1753 CA THR A 107 7.617 -3.139 -6.431 1.00 31.40 C ATOM 1754 C THR A 107 6.495 -2.744 -5.459 1.00 31.41 C ATOM 1755 O THR A 107 5.311 -2.876 -5.779 1.00 42.03 O ATOM 1756 CB THR A 107 8.277 -4.451 -5.940 1.00 0.00 C ATOM 1757 OG1 THR A 107 9.322 -4.841 -6.844 1.00 31.42 O ATOM 1758 CG2 THR A 107 7.256 -5.582 -5.831 1.00 74.22 C ATOM 0 H THR A 107 9.530 -2.300 -6.198 1.00 41.23 H new ATOM 0 HA THR A 107 7.186 -3.301 -7.419 1.00 31.40 H new ATOM 0 HB THR A 107 8.692 -4.265 -4.949 1.00 0.00 H new ATOM 0 HG1 THR A 107 10.094 -4.248 -6.727 1.00 31.42 H new ATOM 0 HG21 THR A 107 7.752 -6.488 -5.484 1.00 74.22 H new ATOM 0 HG22 THR A 107 6.476 -5.301 -5.123 1.00 74.22 H new ATOM 0 HG23 THR A 107 6.810 -5.765 -6.808 1.00 74.22 H new ATOM 1766 N LEU A 108 6.874 -2.252 -4.277 1.00 55.11 N ATOM 1767 CA LEU A 108 5.899 -1.829 -3.260 1.00 12.31 C ATOM 1768 C LEU A 108 4.943 -0.757 -3.810 1.00 60.04 C ATOM 1769 O LEU A 108 3.734 -0.808 -3.576 1.00 61.34 O ATOM 1770 CB LEU A 108 6.621 -1.292 -2.014 1.00 35.44 C ATOM 1771 CG LEU A 108 7.530 -2.295 -1.284 1.00 0.20 C ATOM 1772 CD1 LEU A 108 8.190 -1.639 -0.073 1.00 52.23 C ATOM 1773 CD2 LEU A 108 6.743 -3.536 -0.864 1.00 12.41 C ATOM 0 H LEU A 108 7.848 -2.135 -3.997 1.00 55.11 H new ATOM 0 HA LEU A 108 5.310 -2.704 -2.985 1.00 12.31 H new ATOM 0 HB2 LEU A 108 7.223 -0.432 -2.308 1.00 35.44 H new ATOM 0 HB3 LEU A 108 5.871 -0.931 -1.310 1.00 35.44 H new ATOM 0 HG LEU A 108 8.314 -2.609 -1.974 1.00 0.20 H new ATOM 0 HD11 LEU A 108 8.829 -2.364 0.430 1.00 52.23 H new ATOM 0 HD12 LEU A 108 8.792 -0.791 -0.401 1.00 52.23 H new ATOM 0 HD13 LEU A 108 7.421 -1.292 0.617 1.00 52.23 H new ATOM 0 HD21 LEU A 108 7.407 -4.231 -0.350 1.00 12.41 H new ATOM 0 HD22 LEU A 108 5.934 -3.244 -0.195 1.00 12.41 H new ATOM 0 HD23 LEU A 108 6.326 -4.019 -1.748 1.00 12.41 H new ATOM 1785 N ARG A 109 5.500 0.204 -4.547 1.00 72.41 N ATOM 1786 CA ARG A 109 4.712 1.266 -5.183 1.00 52.32 C ATOM 1787 C ARG A 109 3.564 0.690 -6.030 1.00 55.10 C ATOM 1788 O ARG A 109 2.402 1.077 -5.878 1.00 53.04 O ATOM 1789 CB ARG A 109 5.625 2.120 -6.073 1.00 45.12 C ATOM 1790 CG ARG A 109 4.898 3.224 -6.839 1.00 21.43 C ATOM 1791 CD ARG A 109 5.607 3.583 -8.144 1.00 23.31 C ATOM 1792 NE ARG A 109 5.504 2.504 -9.130 1.00 13.05 N ATOM 1793 CZ ARG A 109 6.083 2.509 -10.301 1.00 24.32 C ATOM 1794 NH1 ARG A 109 6.858 3.486 -10.653 1.00 12.54 N ATOM 1795 NH2 ARG A 109 5.895 1.521 -11.116 1.00 3.53 N ATOM 0 H ARG A 109 6.503 0.271 -4.721 1.00 72.41 H new ATOM 0 HA ARG A 109 4.276 1.879 -4.394 1.00 52.32 H new ATOM 0 HB2 ARG A 109 6.399 2.573 -5.453 1.00 45.12 H new ATOM 0 HB3 ARG A 109 6.129 1.469 -6.787 1.00 45.12 H new ATOM 0 HG2 ARG A 109 3.880 2.903 -7.057 1.00 21.43 H new ATOM 0 HG3 ARG A 109 4.824 4.112 -6.211 1.00 21.43 H new ATOM 0 HD2 ARG A 109 5.173 4.495 -8.555 1.00 23.31 H new ATOM 0 HD3 ARG A 109 6.657 3.793 -7.942 1.00 23.31 H new ATOM 0 HE ARG A 109 4.940 1.691 -8.884 1.00 13.05 H new ATOM 0 HH11 ARG A 109 7.022 4.263 -10.013 1.00 12.54 H new ATOM 0 HH12 ARG A 109 7.304 3.478 -11.570 1.00 12.54 H new ATOM 0 HH21 ARG A 109 5.296 0.742 -10.843 1.00 3.53 H new ATOM 0 HH22 ARG A 109 6.346 1.522 -12.031 1.00 3.53 H new ATOM 1809 N THR A 110 3.899 -0.240 -6.920 1.00 74.44 N ATOM 1810 CA THR A 110 2.913 -0.831 -7.833 1.00 65.22 C ATOM 1811 C THR A 110 1.907 -1.730 -7.097 1.00 22.33 C ATOM 1812 O THR A 110 0.698 -1.602 -7.289 1.00 63.23 O ATOM 1813 CB THR A 110 3.604 -1.649 -8.952 1.00 24.23 C ATOM 1814 OG1 THR A 110 4.456 -0.795 -9.735 1.00 62.53 O ATOM 1815 CG2 THR A 110 2.583 -2.319 -9.872 1.00 54.44 C ATOM 0 H THR A 110 4.845 -0.604 -7.032 1.00 74.44 H new ATOM 0 HA THR A 110 2.369 0.003 -8.277 1.00 65.22 H new ATOM 0 HB THR A 110 4.197 -2.426 -8.470 1.00 24.23 H new ATOM 0 HG1 THR A 110 4.890 -1.322 -10.439 1.00 62.53 H new ATOM 0 HG21 THR A 110 3.105 -2.884 -10.645 1.00 54.44 H new ATOM 0 HG22 THR A 110 1.956 -2.994 -9.289 1.00 54.44 H new ATOM 0 HG23 THR A 110 1.959 -1.557 -10.339 1.00 54.44 H new ATOM 1823 N GLN A 111 2.403 -2.631 -6.248 1.00 11.21 N ATOM 1824 CA GLN A 111 1.530 -3.579 -5.542 1.00 73.21 C ATOM 1825 C GLN A 111 0.539 -2.853 -4.613 1.00 33.34 C ATOM 1826 O GLN A 111 -0.639 -3.210 -4.547 1.00 75.42 O ATOM 1827 CB GLN A 111 2.365 -4.596 -4.749 1.00 13.20 C ATOM 1828 CG GLN A 111 3.383 -5.359 -5.598 1.00 42.15 C ATOM 1829 CD GLN A 111 2.768 -6.063 -6.802 1.00 41.50 C ATOM 1830 OE1 GLN A 111 1.611 -6.482 -6.783 1.00 65.05 O ATOM 1831 NE2 GLN A 111 3.539 -6.203 -7.862 1.00 24.45 N ATOM 0 H GLN A 111 3.395 -2.727 -6.032 1.00 11.21 H new ATOM 0 HA GLN A 111 0.949 -4.114 -6.293 1.00 73.21 H new ATOM 0 HB2 GLN A 111 2.891 -4.074 -3.950 1.00 13.20 H new ATOM 0 HB3 GLN A 111 1.693 -5.311 -4.275 1.00 13.20 H new ATOM 0 HG2 GLN A 111 4.147 -4.664 -5.945 1.00 42.15 H new ATOM 0 HG3 GLN A 111 3.884 -6.098 -4.973 1.00 42.15 H new ATOM 0 HE21 GLN A 111 4.494 -5.845 -7.849 1.00 24.45 H new ATOM 0 HE22 GLN A 111 3.180 -6.669 -8.696 1.00 24.45 H new ATOM 1840 N TYR A 112 1.018 -1.826 -3.910 1.00 23.33 N ATOM 1841 CA TYR A 112 0.151 -1.004 -3.054 1.00 71.43 C ATOM 1842 C TYR A 112 -0.971 -0.360 -3.884 1.00 75.33 C ATOM 1843 O TYR A 112 -2.140 -0.361 -3.487 1.00 63.04 O ATOM 1844 CB TYR A 112 0.976 0.085 -2.351 1.00 74.04 C ATOM 1845 CG TYR A 112 0.214 0.856 -1.285 1.00 14.43 C ATOM 1846 CD1 TYR A 112 -0.514 2.000 -1.597 1.00 62.43 C ATOM 1847 CD2 TYR A 112 0.234 0.439 0.040 1.00 23.52 C ATOM 1848 CE1 TYR A 112 -1.193 2.704 -0.620 1.00 45.04 C ATOM 1849 CE2 TYR A 112 -0.446 1.135 1.019 1.00 61.12 C ATOM 1850 CZ TYR A 112 -1.155 2.268 0.687 1.00 72.42 C ATOM 1851 OH TYR A 112 -1.825 2.964 1.667 1.00 14.22 O ATOM 0 H TYR A 112 1.997 -1.541 -3.914 1.00 23.33 H new ATOM 0 HA TYR A 112 -0.299 -1.649 -2.300 1.00 71.43 H new ATOM 0 HB2 TYR A 112 1.851 -0.377 -1.893 1.00 74.04 H new ATOM 0 HB3 TYR A 112 1.342 0.788 -3.100 1.00 74.04 H new ATOM 0 HD1 TYR A 112 -0.549 2.344 -2.620 1.00 62.43 H new ATOM 0 HD2 TYR A 112 0.792 -0.446 0.309 1.00 23.52 H new ATOM 0 HE1 TYR A 112 -1.751 3.592 -0.880 1.00 45.04 H new ATOM 0 HE2 TYR A 112 -0.422 0.792 2.043 1.00 61.12 H new ATOM 0 HH TYR A 112 -2.055 3.857 1.335 1.00 14.22 H new ATOM 1861 N MET A 113 -0.598 0.170 -5.049 1.00 13.14 N ATOM 1862 CA MET A 113 -1.548 0.803 -5.973 1.00 35.33 C ATOM 1863 C MET A 113 -2.627 -0.190 -6.446 1.00 12.35 C ATOM 1864 O MET A 113 -3.761 0.197 -6.739 1.00 32.23 O ATOM 1865 CB MET A 113 -0.787 1.372 -7.178 1.00 54.11 C ATOM 1866 CG MET A 113 -1.639 2.216 -8.116 1.00 32.42 C ATOM 1867 SD MET A 113 -0.707 2.807 -9.544 1.00 5.23 S ATOM 1868 CE MET A 113 0.634 3.691 -8.742 1.00 12.12 C ATOM 0 H MET A 113 0.367 0.174 -5.381 1.00 13.14 H new ATOM 0 HA MET A 113 -2.054 1.610 -5.443 1.00 35.33 H new ATOM 0 HB2 MET A 113 0.043 1.979 -6.815 1.00 54.11 H new ATOM 0 HB3 MET A 113 -0.355 0.546 -7.743 1.00 54.11 H new ATOM 0 HG2 MET A 113 -2.490 1.627 -8.459 1.00 32.42 H new ATOM 0 HG3 MET A 113 -2.041 3.069 -7.569 1.00 32.42 H new ATOM 0 HE1 MET A 113 0.915 4.553 -9.347 1.00 12.12 H new ATOM 0 HE2 MET A 113 0.310 4.029 -7.758 1.00 12.12 H new ATOM 0 HE3 MET A 113 1.493 3.029 -8.634 1.00 12.12 H new ATOM 1878 N LYS A 114 -2.258 -1.467 -6.516 1.00 2.23 N ATOM 1879 CA LYS A 114 -3.174 -2.531 -6.949 1.00 71.32 C ATOM 1880 C LYS A 114 -4.189 -2.911 -5.855 1.00 53.00 C ATOM 1881 O LYS A 114 -5.395 -2.953 -6.101 1.00 60.32 O ATOM 1882 CB LYS A 114 -2.368 -3.778 -7.345 1.00 1.10 C ATOM 1883 CG LYS A 114 -1.484 -3.583 -8.574 1.00 62.52 C ATOM 1884 CD LYS A 114 -0.488 -4.731 -8.753 1.00 22.53 C ATOM 1885 CE LYS A 114 -1.176 -6.092 -8.797 1.00 64.24 C ATOM 1886 NZ LYS A 114 -0.199 -7.199 -8.956 1.00 32.25 N ATOM 0 H LYS A 114 -1.323 -1.797 -6.277 1.00 2.23 H new ATOM 0 HA LYS A 114 -3.733 -2.149 -7.803 1.00 71.32 H new ATOM 0 HB2 LYS A 114 -1.742 -4.075 -6.504 1.00 1.10 H new ATOM 0 HB3 LYS A 114 -3.059 -4.599 -7.534 1.00 1.10 H new ATOM 0 HG2 LYS A 114 -2.111 -3.505 -9.462 1.00 62.52 H new ATOM 0 HG3 LYS A 114 -0.941 -2.642 -8.484 1.00 62.52 H new ATOM 0 HD2 LYS A 114 0.075 -4.581 -9.674 1.00 22.53 H new ATOM 0 HD3 LYS A 114 0.231 -4.716 -7.934 1.00 22.53 H new ATOM 0 HE2 LYS A 114 -1.747 -6.240 -7.881 1.00 64.24 H new ATOM 0 HE3 LYS A 114 -1.887 -6.113 -9.623 1.00 64.24 H new ATOM 0 HZ1 LYS A 114 -0.683 -8.110 -8.829 1.00 32.25 H new ATOM 0 HZ2 LYS A 114 0.220 -7.159 -9.907 1.00 32.25 H new ATOM 0 HZ3 LYS A 114 0.552 -7.104 -8.243 1.00 32.25 H new ATOM 1900 N TYR A 115 -3.689 -3.191 -4.651 1.00 50.23 N ATOM 1901 CA TYR A 115 -4.528 -3.740 -3.572 1.00 42.03 C ATOM 1902 C TYR A 115 -5.047 -2.663 -2.598 1.00 73.12 C ATOM 1903 O TYR A 115 -6.246 -2.579 -2.334 1.00 65.34 O ATOM 1904 CB TYR A 115 -3.733 -4.789 -2.773 1.00 43.11 C ATOM 1905 CG TYR A 115 -3.198 -5.942 -3.610 1.00 4.51 C ATOM 1906 CD1 TYR A 115 -4.003 -7.029 -3.930 1.00 31.03 C ATOM 1907 CD2 TYR A 115 -1.887 -5.942 -4.076 1.00 2.32 C ATOM 1908 CE1 TYR A 115 -3.520 -8.078 -4.687 1.00 34.54 C ATOM 1909 CE2 TYR A 115 -1.397 -6.988 -4.835 1.00 14.40 C ATOM 1910 CZ TYR A 115 -2.219 -8.052 -5.139 1.00 52.41 C ATOM 1911 OH TYR A 115 -1.736 -9.098 -5.892 1.00 30.22 O ATOM 0 H TYR A 115 -2.712 -3.049 -4.394 1.00 50.23 H new ATOM 0 HA TYR A 115 -5.395 -4.191 -4.055 1.00 42.03 H new ATOM 0 HB2 TYR A 115 -2.896 -4.295 -2.280 1.00 43.11 H new ATOM 0 HB3 TYR A 115 -4.373 -5.192 -1.988 1.00 43.11 H new ATOM 0 HD1 TYR A 115 -5.025 -7.054 -3.580 1.00 31.03 H new ATOM 0 HD2 TYR A 115 -1.241 -5.110 -3.840 1.00 2.32 H new ATOM 0 HE1 TYR A 115 -4.160 -8.915 -4.924 1.00 34.54 H new ATOM 0 HE2 TYR A 115 -0.376 -6.972 -5.188 1.00 14.40 H new ATOM 0 HH TYR A 115 -1.719 -9.913 -5.347 1.00 30.22 H new ATOM 1921 N LEU A 116 -4.144 -1.829 -2.082 1.00 10.14 N ATOM 1922 CA LEU A 116 -4.452 -0.972 -0.924 1.00 44.30 C ATOM 1923 C LEU A 116 -4.832 0.471 -1.304 1.00 51.41 C ATOM 1924 O LEU A 116 -5.527 1.149 -0.545 1.00 3.22 O ATOM 1925 CB LEU A 116 -3.246 -0.962 0.025 1.00 1.32 C ATOM 1926 CG LEU A 116 -2.809 -2.348 0.531 1.00 73.31 C ATOM 1927 CD1 LEU A 116 -1.509 -2.259 1.318 1.00 72.13 C ATOM 1928 CD2 LEU A 116 -3.903 -2.981 1.386 1.00 42.52 C ATOM 0 H LEU A 116 -3.195 -1.725 -2.442 1.00 10.14 H new ATOM 0 HA LEU A 116 -5.330 -1.397 -0.438 1.00 44.30 H new ATOM 0 HB2 LEU A 116 -2.404 -0.496 -0.486 1.00 1.32 H new ATOM 0 HB3 LEU A 116 -3.484 -0.336 0.885 1.00 1.32 H new ATOM 0 HG LEU A 116 -2.638 -2.981 -0.340 1.00 73.31 H new ATOM 0 HD11 LEU A 116 -1.224 -3.253 1.663 1.00 72.13 H new ATOM 0 HD12 LEU A 116 -0.723 -1.858 0.678 1.00 72.13 H new ATOM 0 HD13 LEU A 116 -1.648 -1.602 2.177 1.00 72.13 H new ATOM 0 HD21 LEU A 116 -3.573 -3.960 1.733 1.00 42.52 H new ATOM 0 HD22 LEU A 116 -4.109 -2.342 2.245 1.00 42.52 H new ATOM 0 HD23 LEU A 116 -4.810 -3.094 0.792 1.00 42.52 H new ATOM 1940 N TYR A 117 -4.395 0.941 -2.474 1.00 2.10 N ATOM 1941 CA TYR A 117 -4.627 2.344 -2.869 1.00 20.25 C ATOM 1942 C TYR A 117 -6.128 2.681 -2.988 1.00 53.22 C ATOM 1943 O TYR A 117 -6.569 3.714 -2.476 1.00 1.22 O ATOM 1944 CB TYR A 117 -3.895 2.687 -4.175 1.00 64.43 C ATOM 1945 CG TYR A 117 -4.115 4.122 -4.635 1.00 64.31 C ATOM 1946 CD1 TYR A 117 -3.636 5.193 -3.885 1.00 40.13 C ATOM 1947 CD2 TYR A 117 -4.813 4.405 -5.806 1.00 54.32 C ATOM 1948 CE1 TYR A 117 -3.843 6.498 -4.290 1.00 12.44 C ATOM 1949 CE2 TYR A 117 -5.024 5.708 -6.215 1.00 22.12 C ATOM 1950 CZ TYR A 117 -4.538 6.750 -5.454 1.00 53.43 C ATOM 1951 OH TYR A 117 -4.752 8.049 -5.856 1.00 51.53 O ATOM 0 H TYR A 117 -3.885 0.385 -3.160 1.00 2.10 H new ATOM 0 HA TYR A 117 -4.216 2.961 -2.070 1.00 20.25 H new ATOM 0 HB2 TYR A 117 -2.827 2.517 -4.039 1.00 64.43 H new ATOM 0 HB3 TYR A 117 -4.229 2.007 -4.959 1.00 64.43 H new ATOM 0 HD1 TYR A 117 -3.093 5.001 -2.971 1.00 40.13 H new ATOM 0 HD2 TYR A 117 -5.196 3.592 -6.405 1.00 54.32 H new ATOM 0 HE1 TYR A 117 -3.462 7.317 -3.698 1.00 12.44 H new ATOM 0 HE2 TYR A 117 -5.567 5.909 -7.127 1.00 22.12 H new ATOM 0 HH TYR A 117 -5.256 8.053 -6.696 1.00 51.53 H new ATOM 1961 N PRO A 118 -6.948 1.837 -3.663 1.00 60.23 N ATOM 1962 CA PRO A 118 -8.405 2.053 -3.719 1.00 51.41 C ATOM 1963 C PRO A 118 -9.022 2.173 -2.312 1.00 64.30 C ATOM 1964 O PRO A 118 -9.953 2.949 -2.091 1.00 64.14 O ATOM 1965 CB PRO A 118 -8.929 0.802 -4.442 1.00 3.24 C ATOM 1966 CG PRO A 118 -7.767 0.311 -5.239 1.00 11.21 C ATOM 1967 CD PRO A 118 -6.543 0.632 -4.423 1.00 30.02 C ATOM 0 HA PRO A 118 -8.665 2.983 -4.225 1.00 51.41 H new ATOM 0 HB2 PRO A 118 -9.270 0.048 -3.732 1.00 3.24 H new ATOM 0 HB3 PRO A 118 -9.777 1.041 -5.084 1.00 3.24 H new ATOM 0 HG2 PRO A 118 -7.844 -0.761 -5.423 1.00 11.21 H new ATOM 0 HG3 PRO A 118 -7.727 0.799 -6.213 1.00 11.21 H new ATOM 0 HD2 PRO A 118 -6.274 -0.190 -3.760 1.00 30.02 H new ATOM 0 HD3 PRO A 118 -5.677 0.827 -5.056 1.00 30.02 H new ATOM 1975 N TYR A 119 -8.472 1.414 -1.363 1.00 73.21 N ATOM 1976 CA TYR A 119 -8.960 1.421 0.018 1.00 11.42 C ATOM 1977 C TYR A 119 -8.552 2.721 0.737 1.00 72.42 C ATOM 1978 O TYR A 119 -9.357 3.323 1.454 1.00 4.24 O ATOM 1979 CB TYR A 119 -8.412 0.194 0.765 1.00 74.40 C ATOM 1980 CG TYR A 119 -9.102 -0.096 2.089 1.00 20.02 C ATOM 1981 CD1 TYR A 119 -10.267 -0.860 2.133 1.00 63.24 C ATOM 1982 CD2 TYR A 119 -8.591 0.384 3.290 1.00 60.13 C ATOM 1983 CE1 TYR A 119 -10.898 -1.134 3.332 1.00 51.43 C ATOM 1984 CE2 TYR A 119 -9.218 0.112 4.494 1.00 50.51 C ATOM 1985 CZ TYR A 119 -10.370 -0.647 4.509 1.00 34.22 C ATOM 1986 OH TYR A 119 -11.000 -0.917 5.704 1.00 43.32 O ATOM 0 H TYR A 119 -7.686 0.785 -1.526 1.00 73.21 H new ATOM 0 HA TYR A 119 -10.049 1.374 0.007 1.00 11.42 H new ATOM 0 HB2 TYR A 119 -8.507 -0.680 0.121 1.00 74.40 H new ATOM 0 HB3 TYR A 119 -7.348 0.341 0.949 1.00 74.40 H new ATOM 0 HD1 TYR A 119 -10.684 -1.245 1.214 1.00 63.24 H new ATOM 0 HD2 TYR A 119 -7.690 0.979 3.283 1.00 60.13 H new ATOM 0 HE1 TYR A 119 -11.801 -1.727 3.347 1.00 51.43 H new ATOM 0 HE2 TYR A 119 -8.807 0.492 5.418 1.00 50.51 H new ATOM 0 HH TYR A 119 -10.500 -0.503 6.438 1.00 43.32 H new ATOM 1996 N GLU A 120 -7.301 3.153 0.528 1.00 4.12 N ATOM 1997 CA GLU A 120 -6.799 4.409 1.106 1.00 42.22 C ATOM 1998 C GLU A 120 -7.634 5.606 0.630 1.00 31.34 C ATOM 1999 O GLU A 120 -8.153 6.376 1.435 1.00 12.33 O ATOM 2000 CB GLU A 120 -5.326 4.645 0.724 1.00 43.21 C ATOM 2001 CG GLU A 120 -4.726 5.904 1.360 1.00 41.22 C ATOM 2002 CD GLU A 120 -3.421 6.350 0.709 1.00 72.31 C ATOM 2003 OE1 GLU A 120 -2.463 5.553 0.678 1.00 43.24 O ATOM 2004 OE2 GLU A 120 -3.353 7.503 0.229 1.00 50.21 O ATOM 0 H GLU A 120 -6.617 2.651 -0.038 1.00 4.12 H new ATOM 0 HA GLU A 120 -6.880 4.319 2.189 1.00 42.22 H new ATOM 0 HB2 GLU A 120 -4.737 3.779 1.025 1.00 43.21 H new ATOM 0 HB3 GLU A 120 -5.248 4.722 -0.360 1.00 43.21 H new ATOM 0 HG2 GLU A 120 -5.451 6.715 1.295 1.00 41.22 H new ATOM 0 HG3 GLU A 120 -4.550 5.718 2.419 1.00 41.22 H new ATOM 2011 N CYS A 121 -7.754 5.751 -0.689 1.00 32.14 N ATOM 2012 CA CYS A 121 -8.507 6.863 -1.289 1.00 73.45 C ATOM 2013 C CYS A 121 -9.987 6.846 -0.871 1.00 53.21 C ATOM 2014 O CYS A 121 -10.633 7.892 -0.794 1.00 2.41 O ATOM 2015 CB CYS A 121 -8.399 6.817 -2.819 1.00 61.52 C ATOM 2016 SG CYS A 121 -9.220 8.192 -3.663 1.00 60.14 S ATOM 0 H CYS A 121 -7.340 5.113 -1.368 1.00 32.14 H new ATOM 0 HA CYS A 121 -8.066 7.789 -0.920 1.00 73.45 H new ATOM 0 HB2 CYS A 121 -7.345 6.812 -3.098 1.00 61.52 H new ATOM 0 HB3 CYS A 121 -8.827 5.880 -3.174 1.00 61.52 H new ATOM 0 HG CYS A 121 -10.162 8.667 -2.904 1.00 60.14 H new ATOM 2022 N GLU A 122 -10.523 5.656 -0.609 1.00 40.41 N ATOM 2023 CA GLU A 122 -11.914 5.520 -0.161 1.00 63.43 C ATOM 2024 C GLU A 122 -12.087 5.915 1.319 1.00 55.22 C ATOM 2025 O GLU A 122 -12.755 6.903 1.636 1.00 62.41 O ATOM 2026 CB GLU A 122 -12.397 4.079 -0.382 1.00 45.41 C ATOM 2027 CG GLU A 122 -13.828 3.819 0.083 1.00 41.44 C ATOM 2028 CD GLU A 122 -14.851 4.701 -0.621 1.00 21.22 C ATOM 2029 OE1 GLU A 122 -15.169 4.429 -1.796 1.00 13.51 O ATOM 2030 OE2 GLU A 122 -15.343 5.666 0.002 1.00 51.44 O ATOM 0 H GLU A 122 -10.020 4.773 -0.698 1.00 40.41 H new ATOM 0 HA GLU A 122 -12.519 6.205 -0.755 1.00 63.43 H new ATOM 0 HB2 GLU A 122 -12.323 3.842 -1.443 1.00 45.41 H new ATOM 0 HB3 GLU A 122 -11.727 3.399 0.144 1.00 45.41 H new ATOM 0 HG2 GLU A 122 -14.077 2.772 -0.092 1.00 41.44 H new ATOM 0 HG3 GLU A 122 -13.891 3.986 1.158 1.00 41.44 H new ATOM 2037 N LYS A 123 -11.476 5.144 2.220 1.00 35.53 N ATOM 2038 CA LYS A 123 -11.662 5.335 3.668 1.00 53.04 C ATOM 2039 C LYS A 123 -10.972 6.619 4.170 1.00 22.14 C ATOM 2040 O LYS A 123 -11.457 7.284 5.090 1.00 11.42 O ATOM 2041 CB LYS A 123 -11.116 4.121 4.435 1.00 11.42 C ATOM 2042 CG LYS A 123 -11.650 2.773 3.948 1.00 53.45 C ATOM 2043 CD LYS A 123 -13.167 2.645 4.107 1.00 30.53 C ATOM 2044 CE LYS A 123 -13.653 1.254 3.700 1.00 41.33 C ATOM 2045 NZ LYS A 123 -15.126 1.105 3.834 1.00 11.32 N ATOM 0 H LYS A 123 -10.846 4.379 1.977 1.00 35.53 H new ATOM 0 HA LYS A 123 -12.732 5.435 3.851 1.00 53.04 H new ATOM 0 HB2 LYS A 123 -10.029 4.117 4.357 1.00 11.42 H new ATOM 0 HB3 LYS A 123 -11.360 4.234 5.491 1.00 11.42 H new ATOM 0 HG2 LYS A 123 -11.387 2.640 2.899 1.00 53.45 H new ATOM 0 HG3 LYS A 123 -11.162 1.972 4.503 1.00 53.45 H new ATOM 0 HD2 LYS A 123 -13.444 2.841 5.143 1.00 30.53 H new ATOM 0 HD3 LYS A 123 -13.664 3.399 3.496 1.00 30.53 H new ATOM 0 HE2 LYS A 123 -13.364 1.059 2.667 1.00 41.33 H new ATOM 0 HE3 LYS A 123 -13.157 0.504 4.317 1.00 41.33 H new ATOM 0 HZ1 LYS A 123 -15.405 0.145 3.546 1.00 11.32 H new ATOM 0 HZ2 LYS A 123 -15.402 1.264 4.824 1.00 11.32 H new ATOM 0 HZ3 LYS A 123 -15.602 1.801 3.226 1.00 11.32 H new ATOM 2059 N ARG A 124 -9.837 6.956 3.564 1.00 75.51 N ATOM 2060 CA ARG A 124 -9.068 8.151 3.940 1.00 34.41 C ATOM 2061 C ARG A 124 -9.091 9.217 2.831 1.00 72.25 C ATOM 2062 O ARG A 124 -9.746 9.058 1.801 1.00 71.01 O ATOM 2063 CB ARG A 124 -7.609 7.768 4.245 1.00 62.21 C ATOM 2064 CG ARG A 124 -7.406 7.033 5.567 1.00 45.43 C ATOM 2065 CD ARG A 124 -7.784 7.905 6.759 1.00 42.41 C ATOM 2066 NE ARG A 124 -7.276 7.376 8.022 1.00 12.24 N ATOM 2067 CZ ARG A 124 -7.575 7.871 9.192 1.00 22.42 C ATOM 2068 NH1 ARG A 124 -8.414 8.850 9.296 1.00 13.15 N ATOM 2069 NH2 ARG A 124 -7.033 7.381 10.260 1.00 70.42 N ATOM 0 H ARG A 124 -9.422 6.417 2.804 1.00 75.51 H new ATOM 0 HA ARG A 124 -9.536 8.572 4.829 1.00 34.41 H new ATOM 0 HB2 ARG A 124 -7.235 7.141 3.435 1.00 62.21 H new ATOM 0 HB3 ARG A 124 -7.004 8.674 4.252 1.00 62.21 H new ATOM 0 HG2 ARG A 124 -8.008 6.125 5.575 1.00 45.43 H new ATOM 0 HG3 ARG A 124 -6.364 6.726 5.657 1.00 45.43 H new ATOM 0 HD2 ARG A 124 -7.394 8.911 6.607 1.00 42.41 H new ATOM 0 HD3 ARG A 124 -8.869 7.989 6.814 1.00 42.41 H new ATOM 0 HE ARG A 124 -6.650 6.571 7.988 1.00 12.24 H new ATOM 0 HH11 ARG A 124 -8.848 9.241 8.460 1.00 13.15 H new ATOM 0 HH12 ARG A 124 -8.642 9.231 10.214 1.00 13.15 H new ATOM 0 HH21 ARG A 124 -6.372 6.608 10.188 1.00 70.42 H new ATOM 0 HH22 ARG A 124 -7.267 7.768 11.174 1.00 70.42 H new ATOM 2083 N GLY A 125 -8.377 10.317 3.073 1.00 13.15 N ATOM 2084 CA GLY A 125 -8.187 11.352 2.056 1.00 4.52 C ATOM 2085 C GLY A 125 -6.747 11.859 2.033 1.00 61.41 C ATOM 2086 O GLY A 125 -6.495 13.069 2.022 1.00 12.33 O ATOM 0 H GLY A 125 -7.921 10.514 3.964 1.00 13.15 H new ATOM 0 HA2 GLY A 125 -8.448 10.953 1.076 1.00 4.52 H new ATOM 0 HA3 GLY A 125 -8.863 12.184 2.252 1.00 4.52 H new ATOM 2090 N LEU A 126 -5.800 10.921 2.024 1.00 72.33 N ATOM 2091 CA LEU A 126 -4.372 11.247 2.139 1.00 43.10 C ATOM 2092 C LEU A 126 -3.778 11.722 0.802 1.00 13.13 C ATOM 2093 O LEU A 126 -3.318 12.859 0.688 1.00 35.23 O ATOM 2094 CB LEU A 126 -3.598 10.023 2.651 1.00 41.11 C ATOM 2095 CG LEU A 126 -4.079 9.455 3.999 1.00 32.11 C ATOM 2096 CD1 LEU A 126 -3.260 8.227 4.392 1.00 11.12 C ATOM 2097 CD2 LEU A 126 -4.016 10.523 5.091 1.00 52.11 C ATOM 0 H LEU A 126 -5.994 9.923 1.938 1.00 72.33 H new ATOM 0 HA LEU A 126 -4.277 12.068 2.849 1.00 43.10 H new ATOM 0 HB2 LEU A 126 -3.660 9.235 1.901 1.00 41.11 H new ATOM 0 HB3 LEU A 126 -2.546 10.292 2.744 1.00 41.11 H new ATOM 0 HG LEU A 126 -5.119 9.147 3.887 1.00 32.11 H new ATOM 0 HD11 LEU A 126 -3.617 7.842 5.347 1.00 11.12 H new ATOM 0 HD12 LEU A 126 -3.368 7.458 3.628 1.00 11.12 H new ATOM 0 HD13 LEU A 126 -2.210 8.504 4.482 1.00 11.12 H new ATOM 0 HD21 LEU A 126 -4.360 10.099 6.034 1.00 52.11 H new ATOM 0 HD22 LEU A 126 -2.989 10.869 5.202 1.00 52.11 H new ATOM 0 HD23 LEU A 126 -4.654 11.363 4.816 1.00 52.11 H new ATOM 2109 N SER A 127 -3.792 10.851 -0.205 1.00 44.12 N ATOM 2110 CA SER A 127 -3.221 11.189 -1.519 1.00 1.13 C ATOM 2111 C SER A 127 -4.307 11.395 -2.582 1.00 2.13 C ATOM 2112 O SER A 127 -5.503 11.270 -2.308 1.00 1.22 O ATOM 2113 CB SER A 127 -2.250 10.095 -1.983 1.00 34.00 C ATOM 2114 OG SER A 127 -2.919 8.873 -2.248 1.00 4.34 O ATOM 0 H SER A 127 -4.187 9.913 -0.144 1.00 44.12 H new ATOM 0 HA SER A 127 -2.682 12.129 -1.399 1.00 1.13 H new ATOM 0 HB2 SER A 127 -1.731 10.427 -2.882 1.00 34.00 H new ATOM 0 HB3 SER A 127 -1.491 9.935 -1.218 1.00 34.00 H new ATOM 0 HG SER A 127 -3.072 8.394 -1.407 1.00 4.34 H new ATOM 2120 N ASN A 128 -3.874 11.725 -3.802 1.00 50.44 N ATOM 2121 CA ASN A 128 -4.793 11.962 -4.923 1.00 40.40 C ATOM 2122 C ASN A 128 -4.307 11.261 -6.201 1.00 13.40 C ATOM 2123 O ASN A 128 -3.103 11.074 -6.394 1.00 60.02 O ATOM 2124 CB ASN A 128 -4.917 13.464 -5.202 1.00 60.03 C ATOM 2125 CG ASN A 128 -5.334 14.252 -3.979 1.00 63.31 C ATOM 2126 OD1 ASN A 128 -6.517 14.423 -3.707 1.00 21.44 O ATOM 2127 ND2 ASN A 128 -4.365 14.749 -3.243 1.00 34.15 N ATOM 0 H ASN A 128 -2.888 11.835 -4.041 1.00 50.44 H new ATOM 0 HA ASN A 128 -5.763 11.554 -4.641 1.00 40.40 H new ATOM 0 HB2 ASN A 128 -3.961 13.842 -5.565 1.00 60.03 H new ATOM 0 HB3 ASN A 128 -5.645 13.623 -5.997 1.00 60.03 H new ATOM 0 HD21 ASN A 128 -4.586 15.299 -2.413 1.00 34.15 H new ATOM 0 HD22 ASN A 128 -3.392 14.585 -3.502 1.00 34.15 H new ATOM 2134 N PRO A 129 -5.232 10.883 -7.108 1.00 20.45 N ATOM 2135 CA PRO A 129 -4.867 10.272 -8.400 1.00 63.32 C ATOM 2136 C PRO A 129 -4.070 11.235 -9.301 1.00 24.02 C ATOM 2137 O PRO A 129 -3.266 10.812 -10.130 1.00 50.11 O ATOM 2138 CB PRO A 129 -6.228 9.922 -9.031 1.00 73.31 C ATOM 2139 CG PRO A 129 -7.212 10.813 -8.347 1.00 60.11 C ATOM 2140 CD PRO A 129 -6.696 10.995 -6.943 1.00 23.44 C ATOM 0 HA PRO A 129 -4.214 9.408 -8.274 1.00 63.32 H new ATOM 0 HB2 PRO A 129 -6.220 10.095 -10.107 1.00 73.31 H new ATOM 0 HB3 PRO A 129 -6.475 8.871 -8.879 1.00 73.31 H new ATOM 0 HG2 PRO A 129 -7.294 11.771 -8.860 1.00 60.11 H new ATOM 0 HG3 PRO A 129 -8.206 10.367 -8.343 1.00 60.11 H new ATOM 0 HD2 PRO A 129 -6.982 11.962 -6.530 1.00 23.44 H new ATOM 0 HD3 PRO A 129 -7.085 10.233 -6.268 1.00 23.44 H new ATOM 2148 N ASN A 130 -4.293 12.541 -9.121 1.00 65.45 N ATOM 2149 CA ASN A 130 -3.579 13.566 -9.896 1.00 1.11 C ATOM 2150 C ASN A 130 -2.102 13.656 -9.486 1.00 10.04 C ATOM 2151 O ASN A 130 -1.203 13.501 -10.320 1.00 23.21 O ATOM 2152 CB ASN A 130 -4.260 14.930 -9.723 1.00 53.52 C ATOM 2153 CG ASN A 130 -5.605 15.021 -10.431 1.00 52.32 C ATOM 2154 OD1 ASN A 130 -6.039 16.102 -10.811 1.00 44.20 O ATOM 2155 ND2 ASN A 130 -6.270 13.899 -10.627 1.00 50.41 N ATOM 0 H ASN A 130 -4.961 12.915 -8.447 1.00 65.45 H new ATOM 0 HA ASN A 130 -3.616 13.276 -10.946 1.00 1.11 H new ATOM 0 HB2 ASN A 130 -4.402 15.126 -8.660 1.00 53.52 H new ATOM 0 HB3 ASN A 130 -3.601 15.709 -10.106 1.00 53.52 H new ATOM 0 HD21 ASN A 130 -7.170 13.917 -11.106 1.00 50.41 H new ATOM 0 HD22 ASN A 130 -5.884 13.013 -10.300 1.00 50.41 H new ATOM 2162 N GLU A 131 -1.852 13.909 -8.200 1.00 13.21 N ATOM 2163 CA GLU A 131 -0.483 13.991 -7.677 1.00 42.10 C ATOM 2164 C GLU A 131 0.286 12.671 -7.897 1.00 54.41 C ATOM 2165 O GLU A 131 1.499 12.675 -8.111 1.00 13.44 O ATOM 2166 CB GLU A 131 -0.503 14.374 -6.187 1.00 30.54 C ATOM 2167 CG GLU A 131 -1.220 13.373 -5.290 1.00 2.22 C ATOM 2168 CD GLU A 131 -1.211 13.784 -3.827 1.00 1.02 C ATOM 2169 OE1 GLU A 131 -1.554 14.943 -3.533 1.00 22.32 O ATOM 2170 OE2 GLU A 131 -0.889 12.944 -2.969 1.00 32.52 O ATOM 0 H GLU A 131 -2.578 14.061 -7.500 1.00 13.21 H new ATOM 0 HA GLU A 131 0.043 14.770 -8.229 1.00 42.10 H new ATOM 0 HB2 GLU A 131 0.524 14.485 -5.839 1.00 30.54 H new ATOM 0 HB3 GLU A 131 -0.982 15.347 -6.081 1.00 30.54 H new ATOM 0 HG2 GLU A 131 -2.251 13.264 -5.626 1.00 2.22 H new ATOM 0 HG3 GLU A 131 -0.747 12.396 -5.392 1.00 2.22 H new ATOM 2177 N LEU A 132 -0.436 11.547 -7.848 1.00 43.31 N ATOM 2178 CA LEU A 132 0.152 10.214 -8.071 1.00 4.25 C ATOM 2179 C LEU A 132 0.997 10.155 -9.356 1.00 50.33 C ATOM 2180 O LEU A 132 2.135 9.678 -9.341 1.00 21.55 O ATOM 2181 CB LEU A 132 -0.965 9.159 -8.126 1.00 3.12 C ATOM 2182 CG LEU A 132 -0.503 7.706 -8.344 1.00 55.41 C ATOM 2183 CD1 LEU A 132 0.433 7.256 -7.224 1.00 71.02 C ATOM 2184 CD2 LEU A 132 -1.703 6.767 -8.458 1.00 53.25 C ATOM 0 H LEU A 132 -1.437 11.530 -7.654 1.00 43.31 H new ATOM 0 HA LEU A 132 0.821 10.005 -7.236 1.00 4.25 H new ATOM 0 HB2 LEU A 132 -1.529 9.205 -7.194 1.00 3.12 H new ATOM 0 HB3 LEU A 132 -1.652 9.426 -8.929 1.00 3.12 H new ATOM 0 HG LEU A 132 0.051 7.666 -9.282 1.00 55.41 H new ATOM 0 HD11 LEU A 132 0.745 6.227 -7.402 1.00 71.02 H new ATOM 0 HD12 LEU A 132 1.311 7.902 -7.202 1.00 71.02 H new ATOM 0 HD13 LEU A 132 -0.087 7.318 -6.268 1.00 71.02 H new ATOM 0 HD21 LEU A 132 -1.353 5.746 -8.612 1.00 53.25 H new ATOM 0 HD22 LEU A 132 -2.291 6.815 -7.541 1.00 53.25 H new ATOM 0 HD23 LEU A 132 -2.322 7.069 -9.302 1.00 53.25 H new ATOM 2196 N GLN A 133 0.441 10.646 -10.464 1.00 10.23 N ATOM 2197 CA GLN A 133 1.143 10.624 -11.751 1.00 74.20 C ATOM 2198 C GLN A 133 2.450 11.435 -11.698 1.00 23.32 C ATOM 2199 O GLN A 133 3.480 11.007 -12.222 1.00 61.04 O ATOM 2200 CB GLN A 133 0.236 11.165 -12.865 1.00 11.23 C ATOM 2201 CG GLN A 133 0.851 11.044 -14.255 1.00 40.24 C ATOM 2202 CD GLN A 133 1.075 9.600 -14.680 1.00 62.44 C ATOM 2203 OE1 GLN A 133 0.312 8.706 -14.332 1.00 62.32 O ATOM 2204 NE2 GLN A 133 2.147 9.357 -15.401 1.00 10.21 N ATOM 0 H GLN A 133 -0.489 11.063 -10.498 1.00 10.23 H new ATOM 0 HA GLN A 133 1.399 9.587 -11.967 1.00 74.20 H new ATOM 0 HB2 GLN A 133 -0.712 10.626 -12.846 1.00 11.23 H new ATOM 0 HB3 GLN A 133 0.011 12.213 -12.665 1.00 11.23 H new ATOM 0 HG2 GLN A 133 0.199 11.534 -14.979 1.00 40.24 H new ATOM 0 HG3 GLN A 133 1.803 11.575 -14.273 1.00 40.24 H new ATOM 0 HE21 GLN A 133 2.762 10.123 -15.675 1.00 10.21 H new ATOM 0 HE22 GLN A 133 2.364 8.402 -15.687 1.00 10.21 H new ATOM 2213 N ALA A 134 2.402 12.601 -11.056 1.00 73.44 N ATOM 2214 CA ALA A 134 3.585 13.459 -10.908 1.00 4.21 C ATOM 2215 C ALA A 134 4.677 12.769 -10.074 1.00 24.45 C ATOM 2216 O ALA A 134 5.871 12.874 -10.373 1.00 10.21 O ATOM 2217 CB ALA A 134 3.190 14.791 -10.282 1.00 34.30 C ATOM 0 H ALA A 134 1.556 12.977 -10.628 1.00 73.44 H new ATOM 0 HA ALA A 134 3.997 13.644 -11.900 1.00 4.21 H new ATOM 0 HB1 ALA A 134 4.074 15.420 -10.177 1.00 34.30 H new ATOM 0 HB2 ALA A 134 2.463 15.292 -10.921 1.00 34.30 H new ATOM 0 HB3 ALA A 134 2.750 14.615 -9.300 1.00 34.30 H new ATOM 2223 N ALA A 135 4.253 12.060 -9.028 1.00 70.21 N ATOM 2224 CA ALA A 135 5.163 11.274 -8.189 1.00 2.00 C ATOM 2225 C ALA A 135 5.912 10.223 -9.020 1.00 75.21 C ATOM 2226 O ALA A 135 7.143 10.130 -8.987 1.00 64.20 O ATOM 2227 CB ALA A 135 4.371 10.590 -7.078 1.00 13.32 C ATOM 0 H ALA A 135 3.276 12.013 -8.738 1.00 70.21 H new ATOM 0 HA ALA A 135 5.900 11.949 -7.753 1.00 2.00 H new ATOM 0 HB1 ALA A 135 5.048 10.006 -6.455 1.00 13.32 H new ATOM 0 HB2 ALA A 135 3.875 11.344 -6.467 1.00 13.32 H new ATOM 0 HB3 ALA A 135 3.623 9.930 -7.518 1.00 13.32 H new ATOM 2233 N ILE A 136 5.144 9.443 -9.768 1.00 25.22 N ATOM 2234 CA ILE A 136 5.682 8.380 -10.615 1.00 33.23 C ATOM 2235 C ILE A 136 6.625 8.936 -11.693 1.00 4.10 C ATOM 2236 O ILE A 136 7.726 8.415 -11.899 1.00 50.30 O ATOM 2237 CB ILE A 136 4.520 7.599 -11.273 1.00 10.03 C ATOM 2238 CG1 ILE A 136 3.667 6.935 -10.178 1.00 22.15 C ATOM 2239 CG2 ILE A 136 5.039 6.565 -12.274 1.00 53.10 C ATOM 2240 CD1 ILE A 136 2.340 6.397 -10.666 1.00 44.02 C ATOM 0 H ILE A 136 4.128 9.527 -9.807 1.00 25.22 H new ATOM 0 HA ILE A 136 6.264 7.707 -9.985 1.00 33.23 H new ATOM 0 HB ILE A 136 3.898 8.298 -11.833 1.00 10.03 H new ATOM 0 HG12 ILE A 136 4.237 6.118 -9.735 1.00 22.15 H new ATOM 0 HG13 ILE A 136 3.483 7.661 -9.386 1.00 22.15 H new ATOM 0 HG21 ILE A 136 4.197 6.034 -12.718 1.00 53.10 H new ATOM 0 HG22 ILE A 136 5.604 7.069 -13.058 1.00 53.10 H new ATOM 0 HG23 ILE A 136 5.686 5.854 -11.760 1.00 53.10 H new ATOM 0 HD11 ILE A 136 1.802 5.946 -9.833 1.00 44.02 H new ATOM 0 HD12 ILE A 136 1.748 7.212 -11.082 1.00 44.02 H new ATOM 0 HD13 ILE A 136 2.513 5.645 -11.436 1.00 44.02 H new ATOM 2252 N ASP A 137 6.194 10.001 -12.365 1.00 22.10 N ATOM 2253 CA ASP A 137 6.994 10.638 -13.417 1.00 41.20 C ATOM 2254 C ASP A 137 8.354 11.122 -12.879 1.00 44.35 C ATOM 2255 O ASP A 137 9.402 10.839 -13.463 1.00 5.25 O ATOM 2256 CB ASP A 137 6.215 11.813 -14.014 1.00 5.03 C ATOM 2257 CG ASP A 137 6.905 12.408 -15.228 1.00 30.01 C ATOM 2258 OD1 ASP A 137 6.701 11.884 -16.344 1.00 62.41 O ATOM 2259 OD2 ASP A 137 7.652 13.397 -15.076 1.00 44.24 O ATOM 0 H ASP A 137 5.291 10.446 -12.201 1.00 22.10 H new ATOM 0 HA ASP A 137 7.190 9.897 -14.191 1.00 41.20 H new ATOM 0 HB2 ASP A 137 5.216 11.478 -14.295 1.00 5.03 H new ATOM 0 HB3 ASP A 137 6.090 12.586 -13.255 1.00 5.03 H new ATOM 2264 N SER A 138 8.325 11.842 -11.754 1.00 34.12 N ATOM 2265 CA SER A 138 9.549 12.355 -11.121 1.00 14.32 C ATOM 2266 C SER A 138 10.553 11.229 -10.828 1.00 15.14 C ATOM 2267 O SER A 138 11.750 11.374 -11.075 1.00 64.23 O ATOM 2268 CB SER A 138 9.209 13.104 -9.823 1.00 21.12 C ATOM 2269 OG SER A 138 8.389 14.236 -10.081 1.00 52.21 O ATOM 0 H SER A 138 7.466 12.085 -11.260 1.00 34.12 H new ATOM 0 HA SER A 138 10.014 13.046 -11.824 1.00 14.32 H new ATOM 0 HB2 SER A 138 8.698 12.431 -9.135 1.00 21.12 H new ATOM 0 HB3 SER A 138 10.129 13.422 -9.332 1.00 21.12 H new ATOM 0 HG SER A 138 7.462 13.946 -10.212 1.00 52.21 H new ATOM 2275 N ASN A 139 10.057 10.106 -10.306 1.00 64.22 N ATOM 2276 CA ASN A 139 10.906 8.932 -10.059 1.00 41.43 C ATOM 2277 C ASN A 139 11.475 8.368 -11.372 1.00 24.45 C ATOM 2278 O ASN A 139 12.649 8.007 -11.450 1.00 32.31 O ATOM 2279 CB ASN A 139 10.124 7.839 -9.311 1.00 10.22 C ATOM 2280 CG ASN A 139 10.049 8.092 -7.813 1.00 72.20 C ATOM 2281 OD1 ASN A 139 10.880 7.615 -7.049 1.00 71.25 O ATOM 2282 ND2 ASN A 139 9.063 8.847 -7.377 1.00 10.05 N ATOM 0 H ASN A 139 9.078 9.981 -10.046 1.00 64.22 H new ATOM 0 HA ASN A 139 11.740 9.256 -9.436 1.00 41.43 H new ATOM 0 HB2 ASN A 139 9.114 7.779 -9.716 1.00 10.22 H new ATOM 0 HB3 ASN A 139 10.597 6.873 -9.489 1.00 10.22 H new ATOM 0 HD21 ASN A 139 8.977 9.048 -6.381 1.00 10.05 H new ATOM 0 HD22 ASN A 139 8.385 9.231 -8.035 1.00 10.05 H new ATOM 2289 N ARG A 140 10.639 8.306 -12.409 1.00 3.21 N ATOM 2290 CA ARG A 140 11.073 7.804 -13.718 1.00 22.03 C ATOM 2291 C ARG A 140 12.170 8.691 -14.336 1.00 34.23 C ATOM 2292 O ARG A 140 13.047 8.201 -15.055 1.00 70.40 O ATOM 2293 CB ARG A 140 9.882 7.696 -14.687 1.00 4.43 C ATOM 2294 CG ARG A 140 8.850 6.646 -14.283 1.00 64.13 C ATOM 2295 CD ARG A 140 7.795 6.439 -15.370 1.00 13.21 C ATOM 2296 NE ARG A 140 8.398 6.051 -16.648 1.00 43.15 N ATOM 2297 CZ ARG A 140 7.873 5.202 -17.491 1.00 0.10 C ATOM 2298 NH1 ARG A 140 6.751 4.612 -17.225 1.00 40.23 N ATOM 2299 NH2 ARG A 140 8.489 4.940 -18.599 1.00 52.15 N ATOM 0 H ARG A 140 9.662 8.595 -12.371 1.00 3.21 H new ATOM 0 HA ARG A 140 11.492 6.811 -13.555 1.00 22.03 H new ATOM 0 HB2 ARG A 140 9.391 8.667 -14.754 1.00 4.43 H new ATOM 0 HB3 ARG A 140 10.257 7.459 -15.683 1.00 4.43 H new ATOM 0 HG2 ARG A 140 9.353 5.701 -14.080 1.00 64.13 H new ATOM 0 HG3 ARG A 140 8.363 6.952 -13.357 1.00 64.13 H new ATOM 0 HD2 ARG A 140 7.092 5.670 -15.052 1.00 13.21 H new ATOM 0 HD3 ARG A 140 7.224 7.358 -15.502 1.00 13.21 H new ATOM 0 HE ARG A 140 9.292 6.474 -16.897 1.00 43.15 H new ATOM 0 HH11 ARG A 140 6.267 4.808 -16.349 1.00 40.23 H new ATOM 0 HH12 ARG A 140 6.352 3.951 -17.892 1.00 40.23 H new ATOM 0 HH21 ARG A 140 9.377 5.395 -18.809 1.00 52.15 H new ATOM 0 HH22 ARG A 140 8.086 4.278 -19.262 1.00 52.15 H new ATOM 2313 N ARG A 141 12.126 9.990 -14.050 1.00 43.33 N ATOM 2314 CA ARG A 141 13.109 10.929 -14.603 1.00 40.53 C ATOM 2315 C ARG A 141 14.468 10.833 -13.880 1.00 64.42 C ATOM 2316 O ARG A 141 15.458 11.400 -14.337 1.00 3.10 O ATOM 2317 CB ARG A 141 12.580 12.373 -14.544 1.00 61.22 C ATOM 2318 CG ARG A 141 13.465 13.370 -15.294 1.00 1.22 C ATOM 2319 CD ARG A 141 12.941 14.797 -15.210 1.00 14.42 C ATOM 2320 NE ARG A 141 13.757 15.716 -16.001 1.00 3.24 N ATOM 2321 CZ ARG A 141 13.521 16.989 -16.128 1.00 42.31 C ATOM 2322 NH1 ARG A 141 12.531 17.547 -15.505 1.00 21.35 N ATOM 2323 NH2 ARG A 141 14.280 17.710 -16.881 1.00 55.35 N ATOM 0 H ARG A 141 11.427 10.418 -13.443 1.00 43.33 H new ATOM 0 HA ARG A 141 13.265 10.650 -15.645 1.00 40.53 H new ATOM 0 HB2 ARG A 141 11.575 12.402 -14.964 1.00 61.22 H new ATOM 0 HB3 ARG A 141 12.499 12.681 -13.502 1.00 61.22 H new ATOM 0 HG2 ARG A 141 14.475 13.333 -14.885 1.00 1.22 H new ATOM 0 HG3 ARG A 141 13.534 13.073 -16.341 1.00 1.22 H new ATOM 0 HD2 ARG A 141 11.910 14.828 -15.563 1.00 14.42 H new ATOM 0 HD3 ARG A 141 12.931 15.121 -14.169 1.00 14.42 H new ATOM 0 HE ARG A 141 14.568 15.333 -16.487 1.00 3.24 H new ATOM 0 HH11 ARG A 141 11.925 16.987 -14.906 1.00 21.35 H new ATOM 0 HH12 ARG A 141 12.358 18.546 -15.614 1.00 21.35 H new ATOM 0 HH21 ARG A 141 15.063 17.282 -17.375 1.00 55.35 H new ATOM 0 HH22 ARG A 141 14.097 18.708 -16.983 1.00 55.35 H new ATOM 2337 N GLU A 142 14.530 10.108 -12.765 1.00 10.25 N ATOM 2338 CA GLU A 142 15.790 9.963 -12.021 1.00 34.42 C ATOM 2339 C GLU A 142 16.770 9.000 -12.717 1.00 11.24 C ATOM 2340 O GLU A 142 17.932 8.894 -12.320 1.00 32.03 O ATOM 2341 CB GLU A 142 15.524 9.498 -10.581 1.00 12.03 C ATOM 2342 CG GLU A 142 14.714 10.493 -9.754 1.00 24.42 C ATOM 2343 CD GLU A 142 14.643 10.116 -8.283 1.00 2.14 C ATOM 2344 OE1 GLU A 142 13.818 9.255 -7.918 1.00 60.41 O ATOM 2345 OE2 GLU A 142 15.411 10.688 -7.477 1.00 53.21 O ATOM 0 H GLU A 142 13.736 9.615 -12.357 1.00 10.25 H new ATOM 0 HA GLU A 142 16.257 10.947 -11.997 1.00 34.42 H new ATOM 0 HB2 GLU A 142 14.994 8.546 -10.608 1.00 12.03 H new ATOM 0 HB3 GLU A 142 16.478 9.318 -10.085 1.00 12.03 H new ATOM 0 HG2 GLU A 142 15.158 11.484 -9.849 1.00 24.42 H new ATOM 0 HG3 GLU A 142 13.703 10.556 -10.157 1.00 24.42 H new ATOM 2352 N GLY A 143 16.305 8.303 -13.752 1.00 10.01 N ATOM 2353 CA GLY A 143 17.167 7.386 -14.490 1.00 33.34 C ATOM 2354 C GLY A 143 16.712 7.170 -15.930 1.00 65.42 C ATOM 2355 O GLY A 143 15.837 6.343 -16.198 1.00 41.32 O ATOM 0 H GLY A 143 15.346 8.355 -14.095 1.00 10.01 H new ATOM 0 HA2 GLY A 143 18.185 7.774 -14.491 1.00 33.34 H new ATOM 0 HA3 GLY A 143 17.193 6.426 -13.975 1.00 33.34 H new ATOM 2359 N ARG A 144 17.299 7.918 -16.863 1.00 60.45 N ATOM 2360 CA ARG A 144 16.961 7.791 -18.289 1.00 72.53 C ATOM 2361 C ARG A 144 18.017 6.953 -19.025 1.00 54.04 C ATOM 2362 O ARG A 144 18.915 6.378 -18.409 1.00 61.51 O ATOM 2363 CB ARG A 144 16.864 9.175 -18.961 1.00 10.41 C ATOM 2364 CG ARG A 144 15.862 10.140 -18.326 1.00 2.15 C ATOM 2365 CD ARG A 144 16.405 10.780 -17.052 1.00 41.13 C ATOM 2366 NE ARG A 144 17.671 11.478 -17.281 1.00 33.12 N ATOM 2367 CZ ARG A 144 18.289 12.200 -16.384 1.00 50.30 C ATOM 2368 NH1 ARG A 144 17.776 12.380 -15.212 1.00 13.22 N ATOM 2369 NH2 ARG A 144 19.421 12.755 -16.673 1.00 50.21 N ATOM 0 H ARG A 144 18.012 8.620 -16.662 1.00 60.45 H new ATOM 0 HA ARG A 144 15.993 7.294 -18.351 1.00 72.53 H new ATOM 0 HB2 ARG A 144 17.850 9.639 -18.945 1.00 10.41 H new ATOM 0 HB3 ARG A 144 16.595 9.034 -20.008 1.00 10.41 H new ATOM 0 HG2 ARG A 144 15.608 10.921 -19.043 1.00 2.15 H new ATOM 0 HG3 ARG A 144 14.940 9.605 -18.097 1.00 2.15 H new ATOM 0 HD2 ARG A 144 15.670 11.483 -16.659 1.00 41.13 H new ATOM 0 HD3 ARG A 144 16.548 10.011 -16.293 1.00 41.13 H new ATOM 0 HE ARG A 144 18.100 11.395 -18.203 1.00 33.12 H new ATOM 0 HH11 ARG A 144 16.878 11.956 -14.978 1.00 13.22 H new ATOM 0 HH12 ARG A 144 18.269 12.946 -14.521 1.00 13.22 H new ATOM 0 HH21 ARG A 144 19.829 12.629 -17.599 1.00 50.21 H new ATOM 0 HH22 ARG A 144 19.905 13.319 -15.975 1.00 50.21 H new ATOM 2383 N ARG A 145 17.896 6.879 -20.347 1.00 34.13 N ATOM 2384 CA ARG A 145 18.925 6.253 -21.187 1.00 65.22 C ATOM 2385 C ARG A 145 19.715 7.322 -21.964 1.00 61.33 C ATOM 2386 O ARG A 145 20.804 7.722 -21.493 1.00 37.92 O ATOM 2387 CB ARG A 145 18.290 5.243 -22.153 1.00 73.22 C ATOM 2388 CG ARG A 145 17.777 3.977 -21.472 1.00 72.04 C ATOM 2389 CD ARG A 145 17.146 3.012 -22.469 1.00 43.22 C ATOM 2390 NE ARG A 145 16.832 1.720 -21.858 1.00 23.32 N ATOM 2391 CZ ARG A 145 15.773 1.012 -22.145 1.00 43.44 C ATOM 2392 NH1 ARG A 145 14.867 1.479 -22.943 1.00 0.12 N ATOM 2393 NH2 ARG A 145 15.614 -0.158 -21.621 1.00 12.54 N ATOM 2394 OXT ARG A 145 19.233 7.780 -23.025 1.00 37.92 O ATOM 0 H ARG A 145 17.097 7.244 -20.865 1.00 34.13 H new ATOM 0 HA ARG A 145 19.619 5.719 -20.538 1.00 65.22 H new ATOM 0 HB2 ARG A 145 17.463 5.724 -22.675 1.00 73.22 H new ATOM 0 HB3 ARG A 145 19.025 4.965 -22.908 1.00 73.22 H new ATOM 0 HG2 ARG A 145 18.601 3.481 -20.959 1.00 72.04 H new ATOM 0 HG3 ARG A 145 17.043 4.245 -20.712 1.00 72.04 H new ATOM 0 HD2 ARG A 145 16.235 3.453 -22.873 1.00 43.22 H new ATOM 0 HD3 ARG A 145 17.826 2.861 -23.307 1.00 43.22 H new ATOM 0 HE ARG A 145 17.481 1.349 -21.164 1.00 23.32 H new ATOM 0 HH11 ARG A 145 14.977 2.407 -23.353 1.00 0.12 H new ATOM 0 HH12 ARG A 145 14.043 0.919 -23.162 1.00 0.12 H new ATOM 0 HH21 ARG A 145 16.316 -0.530 -20.982 1.00 12.54 H new ATOM 0 HH22 ARG A 145 14.786 -0.710 -21.846 1.00 12.54 H new TER 2408 ARG A 145